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

C17H21N3O3 — CID 30865528

IUPAC3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-12-14(16(22)20(2)17(23)19-12)8-9-15(21)18-11-10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyOJQJTYSRTOSJGZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.67
Rot. Bonds6

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

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide (PubChem CID 30865528) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
PubChem CID30865528
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-12-14(16(22)20(2)17(23)19-12)8-9-15(21)18-11-10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyOJQJTYSRTOSJGZ-UHFFFAOYSA-N
XLogP0.67
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30865476
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide
CID 30865584
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865553
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide (CID 30865528) is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide is Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is OJQJTYSRTOSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-14(16(22)20(2)17(23)19-12)8-9-15(21)18-11-10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide?
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 30865528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).