Home > Compound List > Compound details
6943-68-6 molecular structure
click picture or here to close

2-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)acetic acid

ChemBase ID: 307649
Molecular Formular: C6H7N3O3
Molecular Mass: 169.13808
Monoisotopic Mass: 169.0487411
SMILES and InChIs

SMILES:
[nH]1c(nc(cc1=O)CC(=O)O)N
Canonical SMILES:
OC(=O)Cc1cc(=O)[nH]c(n1)N
InChI:
InChI=1S/C6H7N3O3/c7-6-8-3(2-5(11)12)1-4(10)9-6/h1H,2H2,(H,11,12)(H3,7,8,9,10)
InChIKey:
NFUONTBACKPJDT-UHFFFAOYSA-N

Cite this record

CBID:307649 http://www.chembase.cn/molecule-307649.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)acetic acid
IUPAC Traditional name
(2-amino-6-oxo-1H-pyrimidin-4-yl)acetic acid
Synonyms
(2-amino-6-oxo-1,6-dihydro-4-pyrimidinyl)acetic acid
CAS Number
6943-68-6
MDL Number
MFCD20502578

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4019616 external link Add to cart
Data Source Data ID Price
ChemBridge
4019616 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0466006  LogD (pH = 7.4) -4.5148826 
Log P -2.4334257  Molar Refractivity 40.003 cm3
Polarizability 14.590138 Å3 Polar Surface Area 104.78 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle