N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C16H21N5O4 — CID 54735109

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)nn1C
InChIInChI=1S/C16H21N5O4/c1-9-7-10(19-20(9)4)8-17-13(23)11-12(22)14(24)21-5-6-25-16(2,3)15(21)18-11/h7,22H,5-6,8H2,1-4H3,(H,17,23)
InChIKeyHASSOWPQKKEPMX-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.19
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54735109) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54735109
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)nn1C
InChIInChI=1S/C16H21N5O4/c1-9-7-10(19-20(9)4)8-17-13(23)11-12(22)14(24)21-5-6-25-16(2,3)15(21)18-11/h7,22H,5-6,8H2,1-4H3,(H,17,23)
InChIKeyHASSOWPQKKEPMX-UHFFFAOYSA-N
XLogP0.19
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54735109) is N-[(1,5-dimethylpyrazol-3-yl)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-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is HASSOWPQKKEPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-9-7-10(19-20(9)4)8-17-13(23)11-12(22)14(24)21-5-6-25-16(2,3)15(21)18-11/h7,22H,5-6,8H2,1-4H3,(H,17,23).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54735109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).