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

C18H21FN4O4 — CID 66882257

IUPACN-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F
InChIInChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyBOTZGFPBBZKZFQ-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.95
Rot. Bonds5

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

N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (PubChem CID 66882257) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
PubChem CID66882257
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F
InChIInChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyBOTZGFPBBZKZFQ-UHFFFAOYSA-N
XLogP0.95
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyrimidin-4-one
CID 136041834
6-(morpholin-4-yl)-2-{2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydro-1H-indol-1-yl]ethyl}pyrimidin-4(3H)-one
CID 136069600
N-(3-methoxyphenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136230229
N-(4-fluoro-3-methoxyphenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136230234
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135445398
6-imino-N-(3-methoxyphenyl)-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1034432
N-[3-({7-Methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methoxy)phenyl]propanamide
CID 16030449
9-[(4-Methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179696
2-[2-(4-difluoromethoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-yl-3H-pyrimidin-4-one
CID 57389625
N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305887
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 75305958
N-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 77162304

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (CID 66882257) is N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is COc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The InChIKey is BOTZGFPBBZKZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide has a molecular weight of 376.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is sourced from PubChem (CID 66882257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).