4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine

C17H14ClN3O — CID 154358319

IUPAC4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccccc3)c(Cl)n2)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-14-9-7-13(8-10-14)20-17-19-11-15(16(18)21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20,21)
InChIKeyIFXPENMDNJAFDI-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine

4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine (PubChem CID 154358319) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine
PubChem CID154358319
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccccc3)c(Cl)n2)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-14-9-7-13(8-10-14)20-17-19-11-15(16(18)21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20,21)
InChIKeyIFXPENMDNJAFDI-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810
N-(4-methoxyphenyl)-3-phenylquinolin-4-amine
CID 70695069
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-chloro-2-methyl-5-phenylpyrimidine
CID 19917991
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 59354245
N-(4-methoxyphenyl)-1-methyl-4-phenylpyrrol-3-amine
CID 142680391
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine
CID 67141573

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine (CID 154358319) is 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine is COc1ccc(Nc2ncc(-c3ccccc3)c(Cl)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine?
The InChIKey is IFXPENMDNJAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-14-9-7-13(8-10-14)20-17-19-11-15(16(18)21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20,21).
What are the key properties of 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine?
4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine has a molecular weight of 311.77 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine is sourced from PubChem (CID 154358319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).