6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide

C13H13F2N5O2 — CID 136565233

IUPAC6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCO2)c1cc(C(F)F)ncn1
InChIInChI=1S/C13H13F2N5O2/c14-12(15)9-5-10(18-7-17-9)13(21)16-6-8-4-11-20(19-8)2-1-3-22-11/h4-5,7,12H,1-3,6H2,(H,16,21)
InChIKeyCDWGRMXIQUUWFU-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.32
Rot. Bonds4

About 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide

6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 136565233) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID136565233
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCO2)c1cc(C(F)F)ncn1
InChIInChI=1S/C13H13F2N5O2/c14-12(15)9-5-10(18-7-17-9)13(21)16-6-8-4-11-20(19-8)2-1-3-22-11/h4-5,7,12H,1-3,6H2,(H,16,21)
InChIKeyCDWGRMXIQUUWFU-UHFFFAOYSA-N
XLogP1.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-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 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide (CID 136565233) is 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1cc2n(n1)CCCO2)c1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is CDWGRMXIQUUWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c14-12(15)9-5-10(18-7-17-9)13(21)16-6-8-4-11-20(19-8)2-1-3-22-11/h4-5,7,12H,1-3,6H2,(H,16,21).
What are the key properties of 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 136565233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).