6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine

C20H21N3O — CID 175167535

IUPAC6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC(C)c3ccccc3)nc(C)n2)c1
InChIInChI=1S/C20H21N3O/c1-14(16-8-5-4-6-9-16)21-20-13-19(22-15(2)23-20)17-10-7-11-18(12-17)24-3/h4-14H,1-3H3,(H,21,22,23)
InChIKeyTXZYWKMMIUFUGK-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.63
Rot. Bonds5

About 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine

6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 175167535) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID175167535
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC(C)c3ccccc3)nc(C)n2)c1
InChIInChI=1S/C20H21N3O/c1-14(16-8-5-4-6-9-16)21-20-13-19(22-15(2)23-20)17-10-7-11-18(12-17)24-3/h4-14H,1-3H3,(H,21,22,23)
InChIKeyTXZYWKMMIUFUGK-UHFFFAOYSA-N
XLogP4.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 123808204
6-(1-benzofuran-5-yl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 127035529
6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 78076645
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 127037314
6-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 70978418
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
6-(1,3-benzothiazol-6-yl)-2-methyl-N-[(1S)-1-(3-phenylphenyl)ethyl]pyrimidin-4-amine
CID 127035732
6-(3-methoxy-4-methylphenyl)-2-methyl-N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
CID 70977939
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
2-[3-[1-[[2-methyl-6-(1-methylindol-6-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetic acid
CID 123766081

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine (CID 175167535) is 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine is COc1cccc(-c2cc(NC(C)c3ccccc3)nc(C)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is TXZYWKMMIUFUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(16-8-5-4-6-9-16)21-20-13-19(22-15(2)23-20)17-10-7-11-18(12-17)24-3/h4-14H,1-3H3,(H,21,22,23).
What are the key properties of 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 175167535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).