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

C15H17N3O3 — CID 30865391

IUPACN-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H17N3O3/c1-10-12(14(20)18-15(21)17-10)7-8-13(19)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyQTPBBZXIPXDODX-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.62
Rot. Bonds5

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

N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 30865391) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID30865391
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H17N3O3/c1-10-12(14(20)18-15(21)17-10)7-8-13(19)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyQTPBBZXIPXDODX-UHFFFAOYSA-N
XLogP0.62
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057970
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057541
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61004753
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 154774754
N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51101630
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
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
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 93235652
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 47062727
N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 42930049

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 30865391) is N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is QTPBBZXIPXDODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-12(14(20)18-15(21)17-10)7-8-13(19)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,16,19)(H2,17,18,20,21).
What are the key properties of N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 287.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 30865391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).