2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine

C17H14ClN3O — CID 59174493

IUPAC2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14ClN3O/c1-12-11-19-17(18)21-16(12)20-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,21)
InChIKeyNLUNPFPHORGCAN-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.97
Rot. Bonds4

About 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine

2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine (PubChem CID 59174493) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
PubChem CID59174493
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14ClN3O/c1-12-11-19-17(18)21-16(12)20-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,21)
InChIKeyNLUNPFPHORGCAN-UHFFFAOYSA-N
XLogP4.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine
CID 87608860
7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 67624921
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 166067233
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
2-chloro-5-phenoxypyrimidine;N-methylmethanamine
CID 87411766
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine
CID 144695477
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine
CID 89102641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine (CID 59174493) is 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The InChIKey is NLUNPFPHORGCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12-11-19-17(18)21-16(12)20-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,21).
What are the key properties of 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine has a molecular weight of 311.77 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 59174493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).