4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C9H11F2N3O — CID 82006775

IUPAC4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)COc1ncnc2c1CNCC2
InChIInChI=1S/C9H11F2N3O/c10-8(11)4-15-9-6-3-12-2-1-7(6)13-5-14-9/h5,8,12H,1-4H2
InChIKeyFTSRMBRUBGJGPN-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.77
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 82006775) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID82006775
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)COc1ncnc2c1CNCC2
InChIInChI=1S/C9H11F2N3O/c10-8(11)4-15-9-6-3-12-2-1-7(6)13-5-14-9/h5,8,12H,1-4H2
InChIKeyFTSRMBRUBGJGPN-UHFFFAOYSA-N
XLogP0.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine 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

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50989214
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
2-chloro-4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidinehydrochloride
CID 155820520
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;dihydrochloride
CID 11689299
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 11689300
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
2-cyclopropyl-4-(4,4,4-trifluorobutoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219170
2-ethyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219183

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 82006775) is 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is FC(F)COc1ncnc2c1CNCC2.
What is the InChIKey of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is FTSRMBRUBGJGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-8(11)4-15-9-6-3-12-2-1-7(6)13-5-14-9/h5,8,12H,1-4H2.
What are the key properties of 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 215.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 82006775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).