6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine

C18H18ClN5 — CID 22540995

IUPAC6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1
InChIInChI=1S/C18H18ClN5/c1-11-7-12(2)9-15(8-11)24-18-16(20)17(21-10-22-18)23-14-5-3-13(19)4-6-14/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyHMCMWRCKQVHEFR-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.82
Rot. Bonds4

About 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine

6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22540995) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22540995
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1
InChIInChI=1S/C18H18ClN5/c1-11-7-12(2)9-15(8-11)24-18-16(20)17(21-10-22-18)23-14-5-3-13(19)4-6-14/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyHMCMWRCKQVHEFR-UHFFFAOYSA-N
XLogP4.82
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 22540905
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135249
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
6-N-(3,5-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22544886

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 22540995) is 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1cc(C)cc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1.
What is the InChIKey of 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is HMCMWRCKQVHEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c1-11-7-12(2)9-15(8-11)24-18-16(20)17(21-10-22-18)23-14-5-3-13(19)4-6-14/h3-10H,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 339.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).