5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine

C17H15ClN4 — CID 155665811

IUPAC5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(Nc2ccccc2)ncc1Cl
InChIInChI=1S/C17H15ClN4/c1-12-7-5-6-10-15(12)21-16-14(18)11-19-17(22-16)20-13-8-3-2-4-9-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyNOOFBPBPJIKXSG-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.93
Rot. Bonds4

About 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine

5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 155665811) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID155665811
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(Nc2ccccc2)ncc1Cl
InChIInChI=1S/C17H15ClN4/c1-12-7-5-6-10-15(12)21-16-14(18)11-19-17(22-16)20-13-8-3-2-4-9-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyNOOFBPBPJIKXSG-UHFFFAOYSA-N
XLogP4.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 155665823
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
N-[3-[(4-anilino-5-chloropyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 175186645
2-[[2-(4-carboxyanilino)-5-chloropyrimidin-4-yl]amino]benzoic acid
CID 70702131
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
2-[(2-anilino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylbenzenesulfonamide
CID 172857647
4-[[5-chloro-4-(2-iodoanilino)pyrimidin-2-yl]amino]benzoic acid
CID 166150113
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80760837
1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163331024

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 155665811) is 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine is Cc1ccccc1Nc1nc(Nc2ccccc2)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is NOOFBPBPJIKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-12-7-5-6-10-15(12)21-16-14(18)11-19-17(22-16)20-13-8-3-2-4-9-13/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 310.79 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 155665811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).