N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

C26H27FN4O5 — CID 71057325

IUPACN-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCNC(=O)c1cc(F)ccc1CN(C)C(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2C
InChIInChI=1S/C26H27FN4O5/c1-16-23-29-21(25(33)30(3)14-18-9-10-19(27)13-20(18)24(32)28-2)22(26(34)31(23)11-12-35-16)36-15-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,28,32)
InChIKeyMJYSTVDOIGYQHL-UHFFFAOYSA-N
MW494.52 g/mol
LogP2.68
Rot. Bonds7

About N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 71057325) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID71057325
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC NameN-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCNC(=O)c1cc(F)ccc1CN(C)C(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2C
InChIInChI=1S/C26H27FN4O5/c1-16-23-29-21(25(33)30(3)14-18-9-10-19(27)13-20(18)24(32)28-2)22(26(34)31(23)11-12-35-16)36-15-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,28,32)
InChIKeyMJYSTVDOIGYQHL-UHFFFAOYSA-N
XLogP2.68
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

N-[[2-(2-aminoethylcarbamoyl)-4-fluorophenyl]methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21069974
N-[[2-(cyclopropylcarbamoyl)-4-fluorophenyl]methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21069990
N-[(4-fluoro-2-methylphenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58703935
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 68953073
7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 123700929
acetamide;N-[(4-fluorophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143478015
N-[[4-fluoro-2-(2-oxoazepan-1-yl)phenyl]methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143149746
N-[[2-[(2R)-2-(aminomethyl)-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58801062
N-[[4-fluoro-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-4-oxo-3-phenylmethoxyspiro[7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-10,4'-oxane]-2-carboxamide
CID 58877873
(3S)-N-[(2,4-difluorophenyl)methyl]-6-methyl-8,11-dioxo-10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 67977420
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-4-oxo-3-phenylmethoxyspiro[7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-10,4'-oxane]-2-carboxamide
CID 58877848
(4Z)-N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1,10-dioxo-11-phenylmethoxy-3,6-dihydropyrido[1,2-a][1,4]diazocine-9-carboxamide
CID 163235277

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 71057325) is N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is CNC(=O)c1cc(F)ccc1CN(C)C(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2C.
What is the InChIKey of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is MJYSTVDOIGYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O5/c1-16-23-29-21(25(33)30(3)14-18-9-10-19(27)13-20(18)24(32)28-2)22(26(34)31(23)11-12-35-16)36-15-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,28,32).
What are the key properties of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 71057325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).