N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide

C18H21FN4O3 — CID 123890147

IUPACN-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F
InChIInChI=1S/C18H21FN4O3/c1-12-9-13(3-4-14(12)19)20-17(24)10-15-21-16(11-18(25)22(15)2)23-5-7-26-8-6-23/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyWKHLQOHCAPPEGZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.25
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide

N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (PubChem CID 123890147) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
PubChem CID123890147
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F
InChIInChI=1S/C18H21FN4O3/c1-12-9-13(3-4-14(12)19)20-17(24)10-15-21-16(11-18(25)22(15)2)23-5-7-26-8-6-23/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyWKHLQOHCAPPEGZ-UHFFFAOYSA-N
XLogP1.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sar-260301
CID 135565159
Tgx-221
CID 9907093
(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
N-(3,4-difluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 49854022
2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-methyl-6-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 49854023
N-(3-bromo-4-fluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 49854024
2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
CID 49854121
7-Methyl-9-(2-methylanilino)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 57798309
N-(3-chloro-4-fluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 66553214
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-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (CID 123890147) is N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is Cc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The InChIKey is WKHLQOHCAPPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-12-9-13(3-4-14(12)19)20-17(24)10-15-21-16(11-18(25)22(15)2)23-5-7-26-8-6-23/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide has a molecular weight of 360.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is sourced from PubChem (CID 123890147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).