(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide

C19H22N4O2 — CID 71807450

IUPAC(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C19H22N4O2/c1-15-13-18(23-9-11-25-12-10-23)22-17(21-15)14-20-19(24)8-7-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,20,24)/b8-7+
InChIKeyIGUPUKBFWJRRFR-BQYQJAHWSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds5

About (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide

(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide (PubChem CID 71807450) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide
PubChem CID71807450
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C19H22N4O2/c1-15-13-18(23-9-11-25-12-10-23)22-17(21-15)14-20-19(24)8-7-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,20,24)/b8-7+
InChIKeyIGUPUKBFWJRRFR-BQYQJAHWSA-N
XLogP1.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.95
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

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
(E)-3-(2-chlorophenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122317790
(E)-3-(2-fluorophenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122317929
(E)-3-(2-chlorophenyl)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318190
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122319061
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318746

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide (CID 71807450) is (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide is Cc1cc(N2CCOCC2)nc(CNC(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide?
The InChIKey is IGUPUKBFWJRRFR-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-13-18(23-9-11-25-12-10-23)22-17(21-15)14-20-19(24)8-7-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,20,24)/b8-7+.
What are the key properties of (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide?
(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71807450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).