4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

C12H16N6 — CID 22542280

IUPAC4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(N(C)C)c2N)n1
InChIInChI=1S/C12H16N6/c1-8-5-4-6-9(16-8)17-11-10(13)12(18(2)3)15-7-14-11/h4-7H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyJHDSHJLRPCSGRS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.57
Rot. Bonds3

About 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22542280) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22542280
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(N(C)C)c2N)n1
InChIInChI=1S/C12H16N6/c1-8-5-4-6-9(16-8)17-11-10(13)12(18(2)3)15-7-14-11/h4-7H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyJHDSHJLRPCSGRS-UHFFFAOYSA-N
XLogP1.57
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,2-dimethylhydrazinyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 22542334
4-N,4-N-dimethyl-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136946
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22542345
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22542247
4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542257
6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542276
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542416
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540452
methyl 2-[[5-amino-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 22542339
4-N-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461
5-amino-4-[(6-methyl-2-pyridinyl)amino]-1H-pyrimidin-6-one
CID 135709701

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22542280) is 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(N(C)C)c2N)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is JHDSHJLRPCSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-8-5-4-6-9(16-8)17-11-10(13)12(18(2)3)15-7-14-11/h4-7H,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 244.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).