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

C17H17ClN6 — CID 22545099

IUPAC6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)c1
InChIInChI=1S/C17H17ClN6/c1-10-5-6-20-14(7-10)24-17-15(19)16(21-9-22-17)23-13-8-12(18)4-3-11(13)2/h3-9H,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeySERQMCIKZDGJMX-UHFFFAOYSA-N
MW340.82 g/mol
LogP4.21
Rot. Bonds4

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

6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22545099) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22545099
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC Name6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)c1
InChIInChI=1S/C17H17ClN6/c1-10-5-6-20-14(7-10)24-17-15(19)16(21-9-22-17)23-13-8-12(18)4-3-11(13)2/h3-9H,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeySERQMCIKZDGJMX-UHFFFAOYSA-N
XLogP4.21
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22547243
6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545178
6-N-(4-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23483688
6-N-(3,5-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22544886
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22547277
4-N-(5-chloro-2-methylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 22547276
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164
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
4-N-(5-chloro-2-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22547329

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22545099) is 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1ccnc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)c1.
What is the InChIKey of 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is SERQMCIKZDGJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c1-10-5-6-20-14(7-10)24-17-15(19)16(21-9-22-17)23-13-8-12(18)4-3-11(13)2/h3-9H,19H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 340.82 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).