N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine

C18H16ClN3O — CID 20898997

IUPACN-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2cc(Nc3ccccc3Cl)nc(C)n2)cc1
InChIInChI=1S/C18H16ClN3O/c1-12-20-17(13-7-9-14(23-2)10-8-13)11-18(21-12)22-16-6-4-3-5-15(16)19/h3-11H,1-2H3,(H,20,21,22)
InChIKeyWGXCKVZRAXBEKS-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.86
Rot. Bonds4

About N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine

N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 20898997) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID20898997
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2cc(Nc3ccccc3Cl)nc(C)n2)cc1
InChIInChI=1S/C18H16ClN3O/c1-12-20-17(13-7-9-14(23-2)10-8-13)11-18(21-12)22-16-6-4-3-5-15(16)19/h3-11H,1-2H3,(H,20,21,22)
InChIKeyWGXCKVZRAXBEKS-UHFFFAOYSA-N
XLogP4.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine (CID 20898997) is N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine is COc1ccc(-c2cc(Nc3ccccc3Cl)nc(C)n2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is WGXCKVZRAXBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-20-17(13-7-9-14(23-2)10-8-13)11-18(21-12)22-16-6-4-3-5-15(16)19/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 20898997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).