3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide

C15H17N3O2 — CID 110475232

IUPAC3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide
SMILESCOc1ncc(CCC(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-3-6-13(7-4-11)18-14(19)8-5-12-9-16-15(20-2)17-10-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,19)
InChIKeyBVPBVXXOQOUFIS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.36
Rot. Bonds5

About 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide

3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide (PubChem CID 110475232) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide
PubChem CID110475232
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide
SMILESCOc1ncc(CCC(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-3-6-13(7-4-11)18-14(19)8-5-12-9-16-15(20-2)17-10-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,19)
InChIKeyBVPBVXXOQOUFIS-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide
CID 122301589
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447
N-[4-(methoxymethyl)phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119049686
2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
CID 17339062
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
CID 59266075

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide (CID 110475232) is 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide is COc1ncc(CCC(=O)Nc2ccc(C)cc2)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is BVPBVXXOQOUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-6-13(7-4-11)18-14(19)8-5-12-9-16-15(20-2)17-10-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide?
3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 110475232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).