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

C18H17N3O — CID 117088632

IUPAC2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O/c1-13-12-17(20-15-6-4-3-5-7-15)21-18(19-13)14-8-10-16(22-2)11-9-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyDSRYUNUTXQAYBJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.20
Rot. Bonds4

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

2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine (PubChem CID 117088632) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
PubChem CID117088632
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O/c1-13-12-17(20-15-6-4-3-5-7-15)21-18(19-13)14-8-10-16(22-2)11-9-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyDSRYUNUTXQAYBJ-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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Related Compounds

2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117090011
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375
4-(4-methoxyphenyl)-6-methyl-N-phenylquinolin-2-amine
CID 139231045
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
CID 162654149
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
4-methanidyl-2-(4-methoxyphenyl)-6-methylpyrimidine;yttrium
CID 148962655

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine (CID 117088632) is 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine is COc1ccc(-c2nc(C)cc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is DSRYUNUTXQAYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-12-17(20-15-6-4-3-5-7-15)21-18(19-13)14-8-10-16(22-2)11-9-14/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine?
2-(4-methoxyphenyl)-6-methyl-N-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 2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 117088632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).