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

C13H15N5O2 — CID 71789340

IUPACN-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc3n(n2)CCCO3)n1
InChIInChI=1S/C13H15N5O2/c1-8-6-9(2)15-13(14-8)16-12(19)10-7-11-18(17-10)4-3-5-20-11/h6-7H,3-5H2,1-2H3,(H,14,15,16,19)
InChIKeyAFLOYNOHGSNVNW-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.32
Rot. Bonds2

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

N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789340) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789340
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc3n(n2)CCCO3)n1
InChIInChI=1S/C13H15N5O2/c1-8-6-9(2)15-13(14-8)16-12(19)10-7-11-18(17-10)4-3-5-20-11/h6-7H,3-5H2,1-2H3,(H,14,15,16,19)
InChIKeyAFLOYNOHGSNVNW-UHFFFAOYSA-N
XLogP1.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789340) is N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc3n(n2)CCCO3)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is AFLOYNOHGSNVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-6-9(2)15-13(14-8)16-12(19)10-7-11-18(17-10)4-3-5-20-11/h6-7H,3-5H2,1-2H3,(H,14,15,16,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).