6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

C17H18N6 — CID 19146976

IUPAC6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(Nc3ccccn3)c2N)cc1
InChIInChI=1S/C17H18N6/c1-12-5-7-13(8-6-12)10-20-16-15(18)17(22-11-21-16)23-14-4-2-3-9-19-14/h2-9,11H,10,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyYGSNWGXVOAMXNJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.12
Rot. Bonds5

About 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19146976) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID19146976
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(Nc3ccccn3)c2N)cc1
InChIInChI=1S/C17H18N6/c1-12-5-7-13(8-6-12)10-20-16-15(18)17(22-11-21-16)23-14-4-2-3-9-19-14/h2-9,11H,10,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyYGSNWGXVOAMXNJ-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-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542276
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147571
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22542345
4-N-(3-chloro-2-methylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22545421
N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951
4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19136416
4-N,4-N-dimethyl-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136946
6-N-hexadecyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142422
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 19146976) is 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is Cc1ccc(CNc2ncnc(Nc3ccccn3)c2N)cc1.
What is the InChIKey of 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is YGSNWGXVOAMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-12-5-7-13(8-6-12)10-20-16-15(18)17(22-11-21-16)23-14-4-2-3-9-19-14/h2-9,11H,10,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-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-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19146976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).