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

C11H17N3O2 — CID 60676026

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C11H17N3O2/c1-4-5-12-10(15)6-9-7(2)13-11(16)14-8(9)3/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyZJDSEWZFLSTHJV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds4

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide (PubChem CID 60676026) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
PubChem CID60676026
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C11H17N3O2/c1-4-5-12-10(15)6-9-7(2)13-11(16)14-8(9)3/h4-6H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyZJDSEWZFLSTHJV-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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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide (CID 60676026) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide is CCCNC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The InChIKey is ZJDSEWZFLSTHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-12-10(15)6-9-7(2)13-11(16)14-8(9)3/h4-6H2,1-3H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide?
2-(4,6-dimethyl-2-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-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide is sourced from PubChem (CID 60676026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).