2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol

C12H14ClF3N4O — CID 123520023

IUPAC2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
SMILESCN1c2nc(Cl)ncc2N(CC(F)(F)F)C(O)C12CCC2
InChIInChI=1S/C12H14ClF3N4O/c1-19-8-7(5-17-10(13)18-8)20(6-12(14,15)16)9(21)11(19)3-2-4-11/h5,9,21H,2-4,6H2,1H3
InChIKeyGSYURVAGURSNNP-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol

2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol (PubChem CID 123520023) has the molecular formula C12H14ClF3N4O and a molecular weight of 322.72 g/mol. Its IUPAC name is 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol.

Molecular Properties

Compound Name2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
PubChem CID123520023
Molecular FormulaC12H14ClF3N4O
Molecular Weight322.72 g/mol
Exact Mass322.08
IUPAC Name2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
SMILESCN1c2nc(Cl)ncc2N(CC(F)(F)F)C(O)C12CCC2
InChIInChI=1S/C12H14ClF3N4O/c1-19-8-7(5-17-10(13)18-8)20(6-12(14,15)16)9(21)11(19)3-2-4-11/h5,9,21H,2-4,6H2,1H3
InChIKeyGSYURVAGURSNNP-UHFFFAOYSA-N
XLogP2.19
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol 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

2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol
CID 123585967
13-chloro-5,9-dimethyl-2-(2,2,2-trifluoroethyl)-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155287660
2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine
CID 141302803
7-chloro-4-ethyl-1-methyl-5-(3,3,3-trifluoropropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223240
2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174623114
2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol
CID 164568760
2-chloro-9-cyclopentyl-7-ethyl-7-fluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58214903
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
2-chloro-6a-ethyl-5-methyl-8,9,10,11-tetrahydro-7H-azepino[2,1-h]pteridin-6-one;methane
CID 158651053
2-chloro-7-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 123997763
2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine
CID 166636813
2'-chloro-1-hydroxy-1,5'-dimethylspiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol?
The IUPAC name of 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol (CID 123520023) is 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol.
What is the SMILES notation for 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol?
The canonical SMILES for 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol is CN1c2nc(Cl)ncc2N(CC(F)(F)F)C(O)C12CCC2.
What is the InChIKey of 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol?
The InChIKey is GSYURVAGURSNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N4O/c1-19-8-7(5-17-10(13)18-8)20(6-12(14,15)16)9(21)11(19)3-2-4-11/h5,9,21H,2-4,6H2,1H3.
What are the key properties of 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol?
2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol has a molecular weight of 322.72 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol is sourced from PubChem (CID 123520023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).