4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C17H16ClN5 — CID 112919326

IUPAC4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(NCc2ccccn2)n1
InChIInChI=1S/C17H16ClN5/c1-12-9-16(22-14-7-4-5-13(18)10-14)23-17(21-12)20-11-15-6-2-3-8-19-15/h2-10H,11H2,1H3,(H2,20,21,22,23)
InChIKeyXQTJXJXMLXLSIV-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.19
Rot. Bonds5

About 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919326) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919326
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(NCc2ccccn2)n1
InChIInChI=1S/C17H16ClN5/c1-12-9-16(22-14-7-4-5-13(18)10-14)23-17(21-12)20-11-15-6-2-3-8-19-15/h2-10H,11H2,1H3,(H2,20,21,22,23)
InChIKeyXQTJXJXMLXLSIV-UHFFFAOYSA-N
XLogP4.19
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
2-N-(3,4-difluorophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919248
methyl 4-[[6-methyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112919358
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937182
4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929729
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919180
4-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920884

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112919326) is 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Cl)c2)nc(NCc2ccccn2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is XQTJXJXMLXLSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-12-9-16(22-14-7-4-5-13(18)10-14)23-17(21-12)20-11-15-6-2-3-8-19-15/h2-10H,11H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 325.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).