2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol

C10H13ClF2N4O2 — CID 123707786

IUPAC2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol
SMILESOC1CCOCNc2nc(Cl)ncc2N1CC(F)F
InChIInChI=1S/C10H13ClF2N4O2/c11-10-14-3-6-9(16-10)15-5-19-2-1-8(18)17(6)4-7(12)13/h3,7-8,18H,1-2,4-5H2,(H,14,15,16)
InChIKeyFLHNNABAUPDJKD-UHFFFAOYSA-N
MW294.69 g/mol
LogP1.31
Rot. Bonds2

About 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol

2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol (PubChem CID 123707786) has the molecular formula C10H13ClF2N4O2 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol.

Molecular Properties

Compound Name2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol
PubChem CID123707786
Molecular FormulaC10H13ClF2N4O2
Molecular Weight294.69 g/mol
Exact Mass294.07
IUPAC Name2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol
SMILESOC1CCOCNc2nc(Cl)ncc2N1CC(F)F
InChIInChI=1S/C10H13ClF2N4O2/c11-10-14-3-6-9(16-10)15-5-19-2-1-8(18)17(6)4-7(12)13/h3,7-8,18H,1-2,4-5H2,(H,14,15,16)
InChIKeyFLHNNABAUPDJKD-UHFFFAOYSA-N
XLogP1.31
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol with MolForge

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Related Compounds

2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol
CID 123585967
methyl 4-(2-chloro-6,7,8,10,11,12-hexahydropyrimido[4,5-e][1,4,7]oxadiazecin-5-yl)butanoate
CID 123948564
2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
CID 141313293
2-chloro-7-phenyl-8,9-dihydropurine
CID 178075727
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
5-bromo-3-(2,2-difluoroethyl)-6-(oxan-4-yl)pyrimidin-4-one
CID 165478923
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-cyclobutyl-8-fluoro-2,3-dihydro-1,4-benzoxazine
CID 139390078
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
5-bromo-2-chloro-4-(oxan-4-ylsulfanyl)pyrimidine
CID 79073525
2-chloro-5-morpholin-4-ylpyrimidin-4-amine
CID 177269263
2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
CID 123520023
7-[(5-acetyl-2-chloropyrimidin-4-yl)methyl]-2-(2,2-difluoroethyl)-3-methyl-3H-isoindol-1-one
CID 58222671

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol?
The IUPAC name of 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol (CID 123707786) is 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol.
What is the SMILES notation for 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol?
The canonical SMILES for 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol is OC1CCOCNc2nc(Cl)ncc2N1CC(F)F.
What is the InChIKey of 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol?
The InChIKey is FLHNNABAUPDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N4O2/c11-10-14-3-6-9(16-10)15-5-19-2-1-8(18)17(6)4-7(12)13/h3,7-8,18H,1-2,4-5H2,(H,14,15,16).
What are the key properties of 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol?
2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol has a molecular weight of 294.69 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol is sourced from PubChem (CID 123707786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).