4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine

C13H17N5 — CID 22540905

IUPAC4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(Nc2cc(C)cc(C)c2)c1N
InChIInChI=1S/C13H17N5/c1-8-4-9(2)6-10(5-8)18-13-11(14)12(15-3)16-7-17-13/h4-7H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyVBQTXJKVCKVXOZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds3

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

4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine (PubChem CID 22540905) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
PubChem CID22540905
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(Nc2cc(C)cc(C)c2)c1N
InChIInChI=1S/C13H17N5/c1-8-4-9(2)6-10(5-8)18-13-11(14)12(15-3)16-7-17-13/h4-7H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyVBQTXJKVCKVXOZ-UHFFFAOYSA-N
XLogP2.46
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22541010
4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580847
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
4-N-(3-bromo-5-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 107581915
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine (CID 22540905) is 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine is CNc1ncnc(Nc2cc(C)cc(C)c2)c1N.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine?
The InChIKey is VBQTXJKVCKVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-4-9(2)6-10(5-8)18-13-11(14)12(15-3)16-7-17-13/h4-7H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine?
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine has a molecular weight of 243.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).