N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C13H16N6O2 — CID 138002545

IUPACN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3n(n2)CCCO3)c(N)n1
InChIInChI=1S/C13H16N6O2/c1-8-15-6-9(12(14)17-8)7-16-13(20)10-5-11-19(18-10)3-2-4-21-11/h5-6H,2-4,7H2,1H3,(H,16,20)(H2,14,15,17)
InChIKeyDMIILLXPJZJECB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.28
Rot. Bonds3

About N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 138002545) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID138002545
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3n(n2)CCCO3)c(N)n1
InChIInChI=1S/C13H16N6O2/c1-8-15-6-9(12(14)17-8)7-16-13(20)10-5-11-19(18-10)3-2-4-21-11/h5-6H,2-4,7H2,1H3,(H,16,20)(H2,14,15,17)
InChIKeyDMIILLXPJZJECB-UHFFFAOYSA-N
XLogP0.28
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]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

Related Compounds

N-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789304
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959259
N-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536897
N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536811
N-[(2-pentyl-1,3-dihydroisoindol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 154773254
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 138005055
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959342
N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959844
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 119039670
N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536800
N-(2-carbamoylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789320
N-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97106799

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 138002545) is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1ncc(CNC(=O)c2cc3n(n2)CCCO3)c(N)n1.
What is the InChIKey of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is DMIILLXPJZJECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-8-15-6-9(12(14)17-8)7-16-13(20)10-5-11-19(18-10)3-2-4-21-11/h5-6H,2-4,7H2,1H3,(H,16,20)(H2,14,15,17).
What are the key properties of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 138002545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).