(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

C15H14ClN3O — CID 885148

IUPAC(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccccc2Cl)n1
InChIInChI=1S/C15H14ClN3O/c1-10-9-11(2)18-15(17-10)19-14(20)8-7-12-5-3-4-6-13(12)16/h3-9H,1-2H3,(H,17,18,19,20)/b8-7+
InChIKeyKLZPSOZLBHKGGM-BQYQJAHWSA-N
MW287.75 g/mol
LogP3.40
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide (PubChem CID 885148) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
PubChem CID885148
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)/C=C/c2ccccc2Cl)n1
InChIInChI=1S/C15H14ClN3O/c1-10-9-11(2)18-15(17-10)19-14(20)8-7-12-5-3-4-6-13(12)16/h3-9H,1-2H3,(H,17,18,19,20)/b8-7+
InChIKeyKLZPSOZLBHKGGM-BQYQJAHWSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.40
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

2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2,4-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670267
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
HSP90 Inhibitor, 4
CID 17755581
2-Amino-4-chloro-6-(2-chlorophenyl)pyrimidine
CID 46914443
4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670257
(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethylpyridin-2-yl)prop-2-enamide
CID 868317
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 885074
3-(2-chloro-6-fluorophenyl)-N-2-pyrimidinylacrylamide
CID 896438
3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)acrylamide
CID 898543
(E)-3-(2-chlorophenyl)-2-cyano-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 1587823
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)acrylamide
CID 2168596

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide (CID 885148) is (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide is Cc1cc(C)nc(NC(=O)/C=C/c2ccccc2Cl)n1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
The InChIKey is KLZPSOZLBHKGGM-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10-9-11(2)18-15(17-10)19-14(20)8-7-12-5-3-4-6-13(12)16/h3-9H,1-2H3,(H,17,18,19,20)/b8-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide is sourced from PubChem (CID 885148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).