3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

C14H23N3O4 — CID 136900103

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-9-12(14(20)16-10(2)15-9)4-5-13(19)17-11(6-7-18)8-21-3/h11,18H,4-8H2,1-3H3,(H,17,19)(H,15,16,20)
InChIKeyRBJYAGKPEBLJPY-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.17
Rot. Bonds8

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (PubChem CID 136900103) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
PubChem CID136900103
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-9-12(14(20)16-10(2)15-9)4-5-13(19)17-11(6-7-18)8-21-3/h11,18H,4-8H2,1-3H3,(H,17,19)(H,15,16,20)
InChIKeyRBJYAGKPEBLJPY-UHFFFAOYSA-N
XLogP-0.17
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxybutyl)propanamide
CID 136772476
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 135930618
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide
CID 137003571
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135925527
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 136865934
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
methyl 3-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]-4-methylbenzoate
CID 135677000

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (CID 136900103) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is COCC(CCO)NC(=O)CCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The InChIKey is RBJYAGKPEBLJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-12(14(20)16-10(2)15-9)4-5-13(19)17-11(6-7-18)8-21-3/h11,18H,4-8H2,1-3H3,(H,17,19)(H,15,16,20).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide has a molecular weight of 297.35 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is sourced from PubChem (CID 136900103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).