(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide

C13H19N3O2 — CID 110488969

IUPAC(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCCOc1ncc(/C=C/C(=O)NCC(C)C)cn1
InChIInChI=1S/C13H19N3O2/c1-4-18-13-15-8-11(9-16-13)5-6-12(17)14-7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,14,17)/b6-5+
InChIKeyHATOVGVIPIBXPQ-AATRIKPKSA-N
MW249.31 g/mol
LogP1.66
Rot. Bonds6

About (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide

(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 110488969) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID110488969
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCCOc1ncc(/C=C/C(=O)NCC(C)C)cn1
InChIInChI=1S/C13H19N3O2/c1-4-18-13-15-8-11(9-16-13)5-6-12(17)14-7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,14,17)/b6-5+
InChIKeyHATOVGVIPIBXPQ-AATRIKPKSA-N
XLogP1.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxypyrimidin-5-yl)prop-2-enoic acid
CID 169460467
(E)-3-(2-ethoxypyrimidin-5-yl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 110488934
(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-2-ylprop-2-enamide
CID 110488977
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 110488978
(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7762009
3-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953514
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
2-[[(E)-3-(2-ethoxypyrimidin-5-yl)prop-2-enoyl]-methylamino]acetic acid
CID 110488946
(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 110488953
(E)-N-(2-aminopropyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82354203

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide (CID 110488969) is (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide is CCOc1ncc(/C=C/C(=O)NCC(C)C)cn1.
What is the InChIKey of (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is HATOVGVIPIBXPQ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-18-13-15-8-11(9-16-13)5-6-12(17)14-7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,14,17)/b6-5+.
What are the key properties of (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide?
(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 110488969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).