N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide

C11H12FN3O — CID 166417439

IUPACN-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnc(C)nc1C1CC1
InChIInChI=1S/C11H12FN3O/c1-6(12)11(16)15-9-5-13-7(2)14-10(9)8-3-4-8/h5,8H,1,3-4H2,2H3,(H,15,16)
InChIKeyUHCVYAHLNSLDKY-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.08
Rot. Bonds3

About N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide

N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide (PubChem CID 166417439) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide
PubChem CID166417439
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC NameN-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnc(C)nc1C1CC1
InChIInChI=1S/C11H12FN3O/c1-6(12)11(16)15-9-5-13-7(2)14-10(9)8-3-4-8/h5,8H,1,3-4H2,2H3,(H,15,16)
InChIKeyUHCVYAHLNSLDKY-UHFFFAOYSA-N
XLogP2.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide?
The IUPAC name of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide (CID 166417439) is N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide.
What is the SMILES notation for N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide?
The canonical SMILES for N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide is C=C(F)C(=O)Nc1cnc(C)nc1C1CC1.
What is the InChIKey of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide?
The InChIKey is UHCVYAHLNSLDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6(12)11(16)15-9-5-13-7(2)14-10(9)8-3-4-8/h5,8H,1,3-4H2,2H3,(H,15,16).
What are the key properties of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide?
N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide has a molecular weight of 221.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-fluoroprop-2-enamide is sourced from PubChem (CID 166417439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).