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

C25H27N3O5 — CID 54717506

IUPAC3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCOCc1ccc(-c2ccccc2CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)cc1
InChIInChI=1S/C25H27N3O5/c1-25(2)24-27-20(21(29)23(31)28(24)12-13-33-25)22(30)26-14-18-6-4-5-7-19(18)17-10-8-16(9-11-17)15-32-3/h4-11,29H,12-15H2,1-3H3,(H,26,30)
InChIKeyFUICBBMXBAOSAP-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.96
Rot. Bonds6

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

3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717506) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]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-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717506
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCOCc1ccc(-c2ccccc2CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)cc1
InChIInChI=1S/C25H27N3O5/c1-25(2)24-27-20(21(29)23(31)28(24)12-13-33-25)22(30)26-14-18-6-4-5-7-19(18)17-10-8-16(9-11-17)15-32-3/h4-11,29H,12-15H2,1-3H3,(H,26,30)
InChIKeyFUICBBMXBAOSAP-UHFFFAOYSA-N
XLogP2.96
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]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-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717506) is 3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]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-[4-(methoxymethyl)phenyl]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-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is COCc1ccc(-c2ccccc2CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)cc1.
What is the InChIKey of 3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is FUICBBMXBAOSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-25(2)24-27-20(21(29)23(31)28(24)12-13-33-25)22(30)26-14-18-6-4-5-7-19(18)17-10-8-16(9-11-17)15-32-3/h4-11,29H,12-15H2,1-3H3,(H,26,30).
What are the key properties of 3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[2-[4-(methoxymethyl)phenyl]phenyl]methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).