(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide

C20H19N3O2 — CID 174623305

IUPAC(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide
SMILESCOc1cccc(-c2cc(NC(=O)[C@H](C)c3ccccc3)ncn2)c1
InChIInChI=1S/C20H19N3O2/c1-14(15-7-4-3-5-8-15)20(24)23-19-12-18(21-13-22-19)16-9-6-10-17(11-16)25-2/h3-14H,1-2H3,(H,21,22,23,24)/t14-/m1/s1
InChIKeyKASFOKKDCYPTJB-CQSZACIVSA-N
MW333.39 g/mol
LogP3.89
Rot. Bonds5

About (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide

(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide (PubChem CID 174623305) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide
PubChem CID174623305
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide
SMILESCOc1cccc(-c2cc(NC(=O)[C@H](C)c3ccccc3)ncn2)c1
InChIInChI=1S/C20H19N3O2/c1-14(15-7-4-3-5-8-15)20(24)23-19-12-18(21-13-22-19)16-9-6-10-17(11-16)25-2/h3-14H,1-2H3,(H,21,22,23,24)/t14-/m1/s1
InChIKeyKASFOKKDCYPTJB-CQSZACIVSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylpropanamide
CID 59509155
2-(2,6-dioxopiperidin-4-yl)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 175268963
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
3-[[2-(3-methoxyphenyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
CID 44575124
methyl (2S)-3-[4-(3-methoxyphenyl)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]propanoate
CID 174415876
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
[5-[[6-(3-methoxyphenyl)pyrimidin-4-yl]carbamoyl]-N,2-dimethylanilino] hydrogen sulfite
CID 174608658
2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 174608651

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
The IUPAC name of (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide (CID 174623305) is (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide is COc1cccc(-c2cc(NC(=O)[C@H](C)c3ccccc3)ncn2)c1.
What is the InChIKey of (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
The InChIKey is KASFOKKDCYPTJB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(15-7-4-3-5-8-15)20(24)23-19-12-18(21-13-22-19)16-9-6-10-17(11-16)25-2/h3-14H,1-2H3,(H,21,22,23,24)/t14-/m1/s1.
What are the key properties of (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide has a molecular weight of 333.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide is sourced from PubChem (CID 174623305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).