3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C24H25N3O5 — CID 54717489

IUPAC3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1cccc(-c2ccccc2CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c1
InChIInChI=1S/C24H25N3O5/c1-24(2)23-26-19(20(28)22(30)27(23)11-12-32-24)21(29)25-14-16-7-4-5-10-18(16)15-8-6-9-17(13-15)31-3/h4-10,13,28H,11-12,14H2,1-3H3,(H,25,29)
InChIKeyJSFICXRBKDEGMZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.82
Rot. Bonds5

About 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717489) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717489
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1cccc(-c2ccccc2CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c1
InChIInChI=1S/C24H25N3O5/c1-24(2)23-26-19(20(28)22(30)27(23)11-12-32-24)21(29)25-14-16-7-4-5-10-18(16)15-8-6-9-17(13-15)31-3/h4-10,13,28H,11-12,14H2,1-3H3,(H,25,29)
InChIKeyJSFICXRBKDEGMZ-UHFFFAOYSA-N
XLogP2.82
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717503
N-[(2,3-dichlorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717543
N-[[3-fluoro-2-(methylamino)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 71028459
3-hydroxy-9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679969
N-(2,3-dihydro-1-benzothiophen-7-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 163547080
N-[(1,1-dioxo-1-benzothiophen-7-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717464
N-[(4-chloro-2-methylphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717588
3-hydroxy-9,9-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717556
N-[[2-(1,1-dihydroxythiazinan-2-yl)-3-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 69280205
3-hydroxy-9,9-dimethyl-N-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735126
N-[[2-[(2S)-2-ethyl-2-methyl-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 163673842
N-[[2-[(2R)-2-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143149763

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717489) is 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is COc1cccc(-c2ccccc2CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c1.
What is the InChIKey of 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is JSFICXRBKDEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-24(2)23-26-19(20(28)22(30)27(23)11-12-32-24)21(29)25-14-16-7-4-5-10-18(16)15-8-6-9-17(13-15)31-3/h4-10,13,28H,11-12,14H2,1-3H3,(H,25,29).
What are the key properties of 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).