N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide

C21H21N3O2 — CID 163623994

IUPACN-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
SMILESCOc1ccc(C)cc1-c1cc(NC(=O)C(C)c2ccccc2)ncn1
InChIInChI=1S/C21H21N3O2/c1-14-9-10-19(26-3)17(11-14)18-12-20(23-13-22-18)24-21(25)15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,22,23,24,25)
InChIKeyHQNQYGAOFXYWCR-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.20
Rot. Bonds5

About N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide

N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide (PubChem CID 163623994) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
PubChem CID163623994
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
SMILESCOc1ccc(C)cc1-c1cc(NC(=O)C(C)c2ccccc2)ncn1
InChIInChI=1S/C21H21N3O2/c1-14-9-10-19(26-3)17(11-14)18-12-20(23-13-22-18)24-21(25)15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,22,23,24,25)
InChIKeyHQNQYGAOFXYWCR-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylpropanamide
CID 59509155
(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 174623305
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017
6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347713
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857701
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 106590814

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
The IUPAC name of N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide (CID 163623994) is N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
The canonical SMILES for N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide is COc1ccc(C)cc1-c1cc(NC(=O)C(C)c2ccccc2)ncn1.
What is the InChIKey of N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
The InChIKey is HQNQYGAOFXYWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-9-10-19(26-3)17(11-14)18-12-20(23-13-22-18)24-21(25)15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,22,23,24,25).
What are the key properties of N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide?
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide is sourced from PubChem (CID 163623994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).