(E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide

C19H21FN4O3 — CID 155233537

IUPAC(E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1/C=C/C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3/c1-13-16(18(26)22-19(21-13)24-9-11-27-12-10-24)7-8-17(25)23(2)15-5-3-14(20)4-6-15/h3-8H,9-12H2,1-2H3,(H,21,22,26)/b8-7+
InChIKeyXXEYJPTUPNRACS-BQYQJAHWSA-N
MW372.40 g/mol
LogP1.73
Rot. Bonds4

About (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide

(E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (PubChem CID 155233537) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
PubChem CID155233537
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1/C=C/C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3/c1-13-16(18(26)22-19(21-13)24-9-11-27-12-10-24)7-8-17(25)23(2)15-5-3-14(20)4-6-15/h3-8H,9-12H2,1-2H3,(H,21,22,26)/b8-7+
InChIKeyXXEYJPTUPNRACS-BQYQJAHWSA-N
XLogP1.73
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (CID 155233537) is (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1/C=C/C(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The InChIKey is XXEYJPTUPNRACS-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-13-16(18(26)22-19(21-13)24-9-11-27-12-10-24)7-8-17(25)23(2)15-5-3-14(20)4-6-15/h3-8H,9-12H2,1-2H3,(H,21,22,26)/b8-7+.
What are the key properties of (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
(E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide has a molecular weight of 372.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 155233537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).