N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide

C10H13N3O — CID 14988418

IUPACN-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide
SMILESC=Cc1cnc(NC(=O)C(C)C)nc1
InChIInChI=1S/C10H13N3O/c1-4-8-5-11-10(12-6-8)13-9(14)7(2)3/h4-7H,1H2,2-3H3,(H,11,12,13,14)
InChIKeyZMGVVQVYVXUVDM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.71
Rot. Bonds3

About N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide

N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide (PubChem CID 14988418) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide
PubChem CID14988418
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide
SMILESC=Cc1cnc(NC(=O)C(C)C)nc1
InChIInChI=1S/C10H13N3O/c1-4-8-5-11-10(12-6-8)13-9(14)7(2)3/h4-7H,1H2,2-3H3,(H,11,12,13,14)
InChIKeyZMGVVQVYVXUVDM-UHFFFAOYSA-N
XLogP1.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide (CID 14988418) is N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide is C=Cc1cnc(NC(=O)C(C)C)nc1.
What is the InChIKey of N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is ZMGVVQVYVXUVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-8-5-11-10(12-6-8)13-9(14)7(2)3/h4-7H,1H2,2-3H3,(H,11,12,13,14).
What are the key properties of N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide?
N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 191.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenylpyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 14988418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).