(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide

C19H24N4O3 — CID 99829546

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cc(C)nc(N(C)C)n2)cc1OC
InChIInChI=1S/C19H24N4O3/c1-13-10-15(22-19(21-13)23(2)3)12-20-18(24)9-7-14-6-8-16(25-4)17(11-14)26-5/h6-11H,12H2,1-5H3,(H,20,24)/b9-7+
InChIKeyXHWVHJIOZQBBOZ-VQHVLOKHSA-N
MW356.43 g/mol
LogP2.20
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide (PubChem CID 99829546) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide
PubChem CID99829546
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cc(C)nc(N(C)C)n2)cc1OC
InChIInChI=1S/C19H24N4O3/c1-13-10-15(22-19(21-13)23(2)3)12-20-18(24)9-7-14-6-8-16(25-4)17(11-14)26-5/h6-11H,12H2,1-5H3,(H,20,24)/b9-7+
InChIKeyXHWVHJIOZQBBOZ-VQHVLOKHSA-N
XLogP2.20
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(6-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 86820704
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enamide
CID 71789950
3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enamide
CID 71960697
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
(E)-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
CID 90569541
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 91939644
(E)-N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 110493292

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide (CID 99829546) is (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2cc(C)nc(N(C)C)n2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide?
The InChIKey is XHWVHJIOZQBBOZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-10-15(22-19(21-13)23(2)3)12-20-18(24)9-7-14-6-8-16(25-4)17(11-14)26-5/h6-11H,12H2,1-5H3,(H,20,24)/b9-7+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide has a molecular weight of 356.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 99829546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).