2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide

C11H17N3O2 — CID 135896883

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-12-10(15)6-9-7(2)13-8(3)14-11(9)16/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyZEUYSZMWCKGNJF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide (PubChem CID 135896883) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
PubChem CID135896883
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-12-10(15)6-9-7(2)13-8(3)14-11(9)16/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyZEUYSZMWCKGNJF-UHFFFAOYSA-N
XLogP0.46
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
5-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136089133
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
2-methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido(4,5-d)azepin-4-one dihydrochloride
CID 154857238
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896975
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135931992
2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 135671154
2,4-dimethyl-5-[1-(3,3,3-trifluoropropylamino)ethyl]-1H-pyrimidin-6-one
CID 136043593
2-(2-ethyl-4-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-{[(2S,4S)-4-fluoro-2-pyrrolidinyl]methyl}acetamide hydrochloride
CID 136252921
2-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 136743772
5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136758124

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide (CID 135896883) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide is CCCNC(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The InChIKey is ZEUYSZMWCKGNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-12-10(15)6-9-7(2)13-8(3)14-11(9)16/h4-6H2,1-3H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide is sourced from PubChem (CID 135896883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).