N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine

C17H14ClN3O — CID 66493714

IUPACN-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-15-8-2-12(3-9-15)16-10-11-19-17(21-16)20-14-6-4-13(18)5-7-14/h2-11H,1H3,(H,19,20,21)
InChIKeyOHGBILNRIZCPCO-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.55
Rot. Bonds4

About N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine

N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 66493714) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID66493714
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-15-8-2-12(3-9-15)16-10-11-19-17(21-16)20-14-6-4-13(18)5-7-14/h2-11H,1H3,(H,19,20,21)
InChIKeyOHGBILNRIZCPCO-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine (CID 66493714) is N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is OHGBILNRIZCPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-15-8-2-12(3-9-15)16-10-11-19-17(21-16)20-14-6-4-13(18)5-7-14/h2-11H,1H3,(H,19,20,21).
What are the key properties of N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine?
N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-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 N-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 66493714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).