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

C11H15N3O2 — CID 135896889

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C11H15N3O2/c1-4-5-12-10(15)6-9-7(2)13-8(3)14-11(9)16/h4H,1,5-6H2,2-3H3,(H,12,15)(H,13,14,16)
InChIKeyAWNOQOULEWVMPZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.23
Rot. Bonds4

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

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide (PubChem CID 135896889) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide
PubChem CID135896889
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C11H15N3O2/c1-4-5-12-10(15)6-9-7(2)13-8(3)14-11(9)16/h4H,1,5-6H2,2-3H3,(H,12,15)(H,13,14,16)
InChIKeyAWNOQOULEWVMPZ-UHFFFAOYSA-N
XLogP0.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide (CID 135896889) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide?
The InChIKey is AWNOQOULEWVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-5-12-10(15)6-9-7(2)13-8(3)14-11(9)16/h4H,1,5-6H2,2-3H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-prop-2-enylacetamide has a molecular weight of 221.26 g/mol, XLogP of 0.23, 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-prop-2-enylacetamide is sourced from PubChem (CID 135896889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).