N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine

C18H17N3O — CID 162655759

IUPACN-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O/c1-13-11-17(20-15-9-6-10-16(12-15)22-2)21-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyNXMPXUSAZSMSAZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.20
Rot. Bonds4

About N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine

N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 162655759) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID162655759
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O/c1-13-11-17(20-15-9-6-10-16(12-15)22-2)21-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyNXMPXUSAZSMSAZ-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine (CID 162655759) is N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine is COc1cccc(Nc2cc(C)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is NXMPXUSAZSMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-11-17(20-15-9-6-10-16(12-15)22-2)21-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 162655759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).