N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide

C10H13N3O2 — CID 135453994

IUPACN-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide
SMILESC=CCc1c(C)nc(NC(C)=O)[nH]c1=O
InChIInChI=1S/C10H13N3O2/c1-4-5-8-6(2)11-10(12-7(3)14)13-9(8)15/h4H,1,5H2,2-3H3,(H2,11,12,13,14,15)
InChIKeyJPZVLDMZWQVWRW-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.77
Rot. Bonds3

About N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide

N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide (PubChem CID 135453994) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide
PubChem CID135453994
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide
SMILESC=CCc1c(C)nc(NC(C)=O)[nH]c1=O
InChIInChI=1S/C10H13N3O2/c1-4-5-8-6(2)11-10(12-7(3)14)13-9(8)15/h4H,1,5H2,2-3H3,(H2,11,12,13,14,15)
InChIKeyJPZVLDMZWQVWRW-UHFFFAOYSA-N
XLogP0.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.77
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 N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide (CID 135453994) is N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide is C=CCc1c(C)nc(NC(C)=O)[nH]c1=O.
What is the InChIKey of N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide?
The InChIKey is JPZVLDMZWQVWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-4-5-8-6(2)11-10(12-7(3)14)13-9(8)15/h4H,1,5H2,2-3H3,(H2,11,12,13,14,15).
What are the key properties of N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide?
N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide has a molecular weight of 207.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135453994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).