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

C19H21FN4O3 — CID 155714079

IUPACN-(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)c1C=CC(=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)
InChIKeyXXEYJPTUPNRACS-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.73
Rot. Bonds4

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

N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (PubChem CID 155714079) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
PubChem CID155714079
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-(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)c1C=CC(=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)
InChIKeyXXEYJPTUPNRACS-UHFFFAOYSA-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'}

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

Tgx-221
CID 9907093
(8s)-9-[3,5-Bis(Fluoranyl)phenyl]-2-Morpholin-4-Yl-8-(Trifluoromethyl)-7,8-Dihydro-6h-Pyrimido[1,2-A]pyrimidin-4-One
CID 49854502
(5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 51601993
2-[4-(Morpholin-4-Yl)-6-Oxo-1,6-Dihydropyrimidin-2-Yl]-N-Phenylacetamide
CID 135566741
5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135477410
6-fluoro-5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 24963596
5-(2-Fluoro-4-iodoanilino)-3-(2-hydroxyethyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24965728
5-(2-Fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione
CID 24966428
N-(3,4-difluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 49854022
2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
CID 49854121
9-[1-(3,5-Difluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839776
9-[1-(4-Fluoroanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839794

Frequently Asked Questions

What is the IUPAC name of 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 N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (CID 155714079) is 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 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 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)c1C=CC(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of N-(4-fluorophenyl)-N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
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 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 155714079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).