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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Related Compounds

1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491854
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
CID 75444256
1-Tert-butyl-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 75444258
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
CID 75444259
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 118740645
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 2795995
US20240336571, Example 49
CID 168955829
1-(2-Cyclopropylpyrimidin-4-yl)methanamine
CID 62747549
N-(2-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}ethyl)pyrimidine-2-carboxamide
CID 52416998
N-(2-(((2-(dimethylamino)pyrimidin-4-yl)methyl)amino)-2-oxoethyl)butyramide
CID 73168076
N-((2-(dimethylamino)pyrimidin-4-yl)methyl)isobutyramide
CID 76148004
2-Acetamido-4-methylpyrimidine
CID 12253313

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).