N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide

C11H13N3O — CID 166428620

IUPACN-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccnc(C2CC2)n1
InChIInChI=1S/C11H13N3O/c1-2-10(15)13-7-9-5-6-12-11(14-9)8-3-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,15)
InChIKeyFDVOFWXKZUMTIE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.16
Rot. Bonds4

About N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide

N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide (PubChem CID 166428620) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide
PubChem CID166428620
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccnc(C2CC2)n1
InChIInChI=1S/C11H13N3O/c1-2-10(15)13-7-9-5-6-12-11(14-9)8-3-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,15)
InChIKeyFDVOFWXKZUMTIE-UHFFFAOYSA-N
XLogP1.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.16
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-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide (CID 166428620) is N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide is C=CC(=O)NCc1ccnc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide?
The InChIKey is FDVOFWXKZUMTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-10(15)13-7-9-5-6-12-11(14-9)8-3-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,15).
What are the key properties of N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide?
N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166428620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).