6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C12H16F3N3O — CID 172576523

IUPAC6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CN(CC(F)F)CC2
InChIInChI=1S/C12H16F3N3O/c1-7(2)19-11-8-5-18(6-10(13)14)4-3-9(8)16-12(15)17-11/h7,10H,3-6H2,1-2H3
InChIKeyNWWUNJJJXWEHBO-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.03
Rot. Bonds4

About 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 172576523) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID172576523
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1CN(CC(F)F)CC2
InChIInChI=1S/C12H16F3N3O/c1-7(2)19-11-8-5-18(6-10(13)14)4-3-9(8)16-12(15)17-11/h7,10H,3-6H2,1-2H3
InChIKeyNWWUNJJJXWEHBO-UHFFFAOYSA-N
XLogP2.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[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

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 172576523) is 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)Oc1nc(F)nc2c1CN(CC(F)F)CC2.
What is the InChIKey of 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NWWUNJJJXWEHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7(2)19-11-8-5-18(6-10(13)14)4-3-9(8)16-12(15)17-11/h7,10H,3-6H2,1-2H3.
What are the key properties of 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 275.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).