6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

C15H22N6 — CID 22542416

IUPAC6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NCCC(C)C)c2N)n1
InChIInChI=1S/C15H22N6/c1-10(2)7-8-17-14-13(16)15(19-9-18-14)21-12-6-4-5-11(3)20-12/h4-6,9-10H,7-8,16H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyODZKQMFCVAVHAX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds6

About 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22542416) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22542416
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NCCC(C)C)c2N)n1
InChIInChI=1S/C15H22N6/c1-10(2)7-8-17-14-13(16)15(19-9-18-14)21-12-6-4-5-11(3)20-12/h4-6,9-10H,7-8,16H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyODZKQMFCVAVHAX-UHFFFAOYSA-N
XLogP2.96
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542276
4-N-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22542345
6-(2,2-dimethylhydrazinyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 22542334
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19150023
4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542280
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22542247
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542257
4-[[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19153151

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22542416) is 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(NCCC(C)C)c2N)n1.
What is the InChIKey of 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is ODZKQMFCVAVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10(2)7-8-17-14-13(16)15(19-9-18-14)21-12-6-4-5-11(3)20-12/h4-6,9-10H,7-8,16H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 286.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).