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

C19H23N3O6 — CID 54717548

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c(OC)c1
InChIInChI=1S/C19H23N3O6/c1-19(2)18-21-14(15(23)17(25)22(18)7-8-28-19)16(24)20-10-11-5-6-12(26-3)9-13(11)27-4/h5-6,9,23H,7-8,10H2,1-4H3,(H,20,24)
InChIKeyIJLGREVCHJZOQB-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.16
Rot. Bonds5

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

N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717548) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717548
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c(OC)c1
InChIInChI=1S/C19H23N3O6/c1-19(2)18-21-14(15(23)17(25)22(18)7-8-28-19)16(24)20-10-11-5-6-12(26-3)9-13(11)27-4/h5-6,9,23H,7-8,10H2,1-4H3,(H,20,24)
InChIKeyIJLGREVCHJZOQB-UHFFFAOYSA-N
XLogP1.16
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717548) is N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is COc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is IJLGREVCHJZOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-19(2)18-21-14(15(23)17(25)22(18)7-8-28-19)16(24)20-10-11-5-6-12(26-3)9-13(11)27-4/h5-6,9,23H,7-8,10H2,1-4H3,(H,20,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).