5-chloro-3-methylimidazole-2,4-diamine

C4H7ClN4 — CID 69341462

IUPAC5-chloro-3-methylimidazole-2,4-diamine
SMILESCn1c(N)nc(Cl)c1N
InChIInChI=1S/C4H7ClN4/c1-9-3(6)2(5)8-4(9)7/h6H2,1H3,(H2,7,8)
InChIKeyWGNZBIMSGYRLMH-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.24
Rot. Bonds

About 5-chloro-3-methylimidazole-2,4-diamine

5-chloro-3-methylimidazole-2,4-diamine (PubChem CID 69341462) has the molecular formula C4H7ClN4 and a molecular weight of 146.58 g/mol. Its IUPAC name is 5-chloro-3-methylimidazole-2,4-diamine.

Molecular Properties

Compound Name5-chloro-3-methylimidazole-2,4-diamine
PubChem CID69341462
Molecular FormulaC4H7ClN4
Molecular Weight146.58 g/mol
Exact Mass146.04
IUPAC Name5-chloro-3-methylimidazole-2,4-diamine
SMILESCn1c(N)nc(Cl)c1N
InChIInChI=1S/C4H7ClN4/c1-9-3(6)2(5)8-4(9)7/h6H2,1H3,(H2,7,8)
InChIKeyWGNZBIMSGYRLMH-UHFFFAOYSA-N
XLogP0.24
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106580639
5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
CID 84604378
3-chloro-1,5,6-trimethylpyrazin-2-one
CID 146565343
3-chloro-1-ethylpyrazole-4,5-diamine
CID 66769875
2-amino-8-chloro-3-methylquinazolin-4-one
CID 84780957
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-chloro-6-methylimidazo[1,5-a]pyridin-3-amine
CID 83869582
1-(3,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106557272
1-methyl-7-nitrobenzimidazol-2-amine
CID 57386848
5-chloro-1-methyl-1,2,4-triazol-3-amine
CID 14221624
9-methyl-6H-purin-6-id-8-amine;yttrium
CID 58110849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylimidazole-2,4-diamine?
The IUPAC name of 5-chloro-3-methylimidazole-2,4-diamine (CID 69341462) is 5-chloro-3-methylimidazole-2,4-diamine.
What is the SMILES notation for 5-chloro-3-methylimidazole-2,4-diamine?
The canonical SMILES for 5-chloro-3-methylimidazole-2,4-diamine is Cn1c(N)nc(Cl)c1N.
What is the InChIKey of 5-chloro-3-methylimidazole-2,4-diamine?
The InChIKey is WGNZBIMSGYRLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4/c1-9-3(6)2(5)8-4(9)7/h6H2,1H3,(H2,7,8).
What are the key properties of 5-chloro-3-methylimidazole-2,4-diamine?
5-chloro-3-methylimidazole-2,4-diamine has a molecular weight of 146.58 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylimidazole-2,4-diamine is sourced from PubChem (CID 69341462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).