4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

C12H15N5 — CID 19137100

IUPAC4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(N)c2N)c1C
InChIInChI=1S/C12H15N5/c1-7-4-3-5-9(8(7)2)17-12-10(13)11(14)15-6-16-12/h3-6H,13H2,1-2H3,(H3,14,15,16,17)
InChIKeyHBCSDUQNVUGKLG-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.00
Rot. Bonds2

About 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19137100) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19137100
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(N)c2N)c1C
InChIInChI=1S/C12H15N5/c1-7-4-3-5-9(8(7)2)17-12-10(13)11(14)15-6-16-12/h3-6H,13H2,1-2H3,(H3,14,15,16,17)
InChIKeyHBCSDUQNVUGKLG-UHFFFAOYSA-N
XLogP2.00
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143153
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19137237
6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19143129
4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 114250669
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 19137100) is 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(N)c2N)c1C.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is HBCSDUQNVUGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-7-4-3-5-9(8(7)2)17-12-10(13)11(14)15-6-16-12/h3-6H,13H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 229.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).