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2434-56-2 molecular structure
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pyrimidine-4,6-diamine

ChemBase ID: 291412
Molecular Formular: C4H6N4
Molecular Mass: 110.11724
Monoisotopic Mass: 110.05924621
SMILES and InChIs

SMILES:
Nc1cc(N)ncn1
Canonical SMILES:
Nc1ncnc(c1)N
InChI:
InChI=1S/C4H6N4/c5-3-1-4(6)8-2-7-3/h1-2H,(H4,5,6,7,8)
InChIKey:
MISVBCMQSJUHMH-UHFFFAOYSA-N

Cite this record

CBID:291412 http://www.chembase.cn/molecule-291412.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrimidine-4,6-diamine
IUPAC Traditional name
pyrimidine-4,6-diamine
Synonyms
4,6-Diaminopyrimidine
CAS Number
2434-56-2
MDL Number
MFCD00044572
PubChem SID
180676943
PubChem CID
79608

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD2313 Please log in.
Data Source Data ID
PubChem 79608 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.123213  LogD (pH = 7.4) -0.77821755 
Log P -0.4192014  Molar Refractivity 32.7501 cm3
Polarizability 10.836205 Å3 Polar Surface Area 77.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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