(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide

C12H17N3O — CID 99842138

IUPAC(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide
SMILESC=C(C)C[C@@H](C)C(=O)Nc1nccc(C)n1
InChIInChI=1S/C12H17N3O/c1-8(2)7-9(3)11(16)15-12-13-6-5-10(4)14-12/h5-6,9H,1,7H2,2-4H3,(H,13,14,15,16)/t9-/m1/s1
InChIKeyOFZXASPCBZYVHD-SECBINFHSA-N
MW219.29 g/mol
LogP2.33
Rot. Bonds4

About (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide

(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide (PubChem CID 99842138) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide.

Molecular Properties

Compound Name(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide
PubChem CID99842138
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide
SMILESC=C(C)C[C@@H](C)C(=O)Nc1nccc(C)n1
InChIInChI=1S/C12H17N3O/c1-8(2)7-9(3)11(16)15-12-13-6-5-10(4)14-12/h5-6,9H,1,7H2,2-4H3,(H,13,14,15,16)/t9-/m1/s1
InChIKeyOFZXASPCBZYVHD-SECBINFHSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide?
The IUPAC name of (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide (CID 99842138) is (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide.
What is the SMILES notation for (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide?
The canonical SMILES for (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide is C=C(C)C[C@@H](C)C(=O)Nc1nccc(C)n1.
What is the InChIKey of (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide?
The InChIKey is OFZXASPCBZYVHD-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)7-9(3)11(16)15-12-13-6-5-10(4)14-12/h5-6,9H,1,7H2,2-4H3,(H,13,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide?
(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide has a molecular weight of 219.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide is sourced from PubChem (CID 99842138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).