4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine

C16H15ClN6 — CID 22547243

IUPAC4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCc1ccc(Cl)cc1Nc1ncnc(Nc2ccccn2)c1N
InChIInChI=1S/C16H15ClN6/c1-10-5-6-11(17)8-12(10)22-15-14(18)16(21-9-20-15)23-13-4-2-3-7-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyPLKRRLLPPNLBLT-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.90
Rot. Bonds4

About 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine

4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 22547243) has the molecular formula C16H15ClN6 and a molecular weight of 326.79 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID22547243
Molecular FormulaC16H15ClN6
Molecular Weight326.79 g/mol
Exact Mass326.10
IUPAC Name4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCc1ccc(Cl)cc1Nc1ncnc(Nc2ccccn2)c1N
InChIInChI=1S/C16H15ClN6/c1-10-5-6-11(17)8-12(10)22-15-14(18)16(21-9-20-15)23-13-4-2-3-7-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyPLKRRLLPPNLBLT-UHFFFAOYSA-N
XLogP3.90
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545099
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
4-N-(5-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
CID 22547240
2-N-(5-chloro-2-methylphenyl)pyridine-2,3-diamine
CID 28846305
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22547277
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
4-N-(5-chloro-2-methylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 22547276
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 22547247
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 22547243) is 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine is Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccccn2)c1N.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is PLKRRLLPPNLBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6/c1-10-5-6-11(17)8-12(10)22-15-14(18)16(21-9-20-15)23-13-4-2-3-7-19-13/h2-9H,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 326.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).