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

C17H18N6 — CID 22542276

IUPAC6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NCc3ccccc3)c2N)n1
InChIInChI=1S/C17H18N6/c1-12-6-5-9-14(22-12)23-17-15(18)16(20-11-21-17)19-10-13-7-3-2-4-8-13/h2-9,11H,10,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyCFEQQGSCCSVOCM-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.12
Rot. Bonds5

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

6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22542276) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22542276
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NCc3ccccc3)c2N)n1
InChIInChI=1S/C17H18N6/c1-12-6-5-9-14(22-12)23-17-15(18)16(20-11-21-17)19-10-13-7-3-2-4-8-13/h2-9,11H,10,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyCFEQQGSCCSVOCM-UHFFFAOYSA-N
XLogP3.12
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22542345
6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542416
6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146976
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
4-N-benzyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 130154555
6-(2,2-dimethylhydrazinyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 22542334
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
4-N-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461
4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542257
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
6-N-[(4-fluorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19153840

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22542276) is 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(NCc3ccccc3)c2N)n1.
What is the InChIKey of 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is CFEQQGSCCSVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-12-6-5-9-14(22-12)23-17-15(18)16(20-11-21-17)19-10-13-7-3-2-4-8-13/h2-9,11H,10,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 306.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).