3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide

C21H21N3O2 — CID 87050689

IUPAC3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-3-8-17(9-4-15)21-22-13-18(14-23-21)24-20(25)12-7-16-5-10-19(26-2)11-6-16/h3-6,8-11,13-14H,7,12H2,1-2H3,(H,24,25)
InChIKeyBVIWSHOKPZLZKK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.03
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide

3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide (PubChem CID 87050689) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide
PubChem CID87050689
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-3-8-17(9-4-15)21-22-13-18(14-23-21)24-20(25)12-7-16-5-10-19(26-2)11-6-16/h3-6,8-11,13-14H,7,12H2,1-2H3,(H,24,25)
InChIKeyBVIWSHOKPZLZKK-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Butoxyphenyl)pyrimidin-5-amine
CID 604596
2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 16115231
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-(4-methoxyphenyl)butanamide
CID 11453381
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3-methoxyphenyl-)methyl]-2-piperidineacetamide
CID 16115232
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide
CID 16115472
(2S)-2-[[5-[acetyl(ethyl)amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16678632
(2S)-2-[[5-[benzylcarbamoyl(ethyl)amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16678636
(2S)-2-[[2-(diethylamino)-5-[ethyl(2-phenylethylcarbamoyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16679634
(2S)-2-[[2-(diethylamino)-5-[ethyl(phenylcarbamoyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16679722
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)acetamide
CID 24970336

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide (CID 87050689) is 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide is COc1ccc(CCC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide?
The InChIKey is BVIWSHOKPZLZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-3-8-17(9-4-15)21-22-13-18(14-23-21)24-20(25)12-7-16-5-10-19(26-2)11-6-16/h3-6,8-11,13-14H,7,12H2,1-2H3,(H,24,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide?
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 87050689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).