3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide

C16H19N3O3 — CID 30865434

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H19N3O3/c1-11-13(15(21)19-16(22)18-11)7-8-14(20)17-10-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyZNMWEFKIOYJVQJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.66
Rot. Bonds6

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide (PubChem CID 30865434) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
PubChem CID30865434
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H19N3O3/c1-11-13(15(21)19-16(22)18-11)7-8-14(20)17-10-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyZNMWEFKIOYJVQJ-UHFFFAOYSA-N
XLogP0.66
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51101630
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865528
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057970
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
CID 52511202
N-(3,3-difluoro-2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 103769787
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61004753
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide (CID 30865434) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is ZNMWEFKIOYJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-13(15(21)19-16(22)18-11)7-8-14(20)17-10-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 30865434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).