(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide

C17H20N4O2 — CID 122319522

IUPAC(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide
SMILESCOc1ncc(NC(=O)/C=C/c2ccccc2C)c(N(C)C)n1
InChIInChI=1S/C17H20N4O2/c1-12-7-5-6-8-13(12)9-10-15(22)19-14-11-18-17(23-4)20-16(14)21(2)3/h5-11H,1-4H3,(H,19,22)/b10-9+
InChIKeyZMPXKKKXODDWRJ-MDZDMXLPSA-N
MW312.37 g/mol
LogP2.51
Rot. Bonds5

About (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide

(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide (PubChem CID 122319522) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide
PubChem CID122319522
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide
SMILESCOc1ncc(NC(=O)/C=C/c2ccccc2C)c(N(C)C)n1
InChIInChI=1S/C17H20N4O2/c1-12-7-5-6-8-13(12)9-10-15(22)19-14-11-18-17(23-4)20-16(14)21(2)3/h5-11H,1-4H3,(H,19,22)/b10-9+
InChIKeyZMPXKKKXODDWRJ-MDZDMXLPSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
CID 122319329
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122319450
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 91939644
1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
CID 122319316
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122319474
(E)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122319992
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122319515
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122319413
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952338

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide (CID 122319522) is (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide is COc1ncc(NC(=O)/C=C/c2ccccc2C)c(N(C)C)n1.
What is the InChIKey of (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is ZMPXKKKXODDWRJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-7-5-6-8-13(12)9-10-15(22)19-14-11-18-17(23-4)20-16(14)21(2)3/h5-11H,1-4H3,(H,19,22)/b10-9+.
What are the key properties of (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide?
(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 122319522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).