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

C12H16ClF2N3O — CID 172576465

IUPAC2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(Cl)nc2c1CN(CC(F)F)CC2
InChIInChI=1S/C12H16ClF2N3O/c1-7(2)19-11-8-5-18(6-10(14)15)4-3-9(8)16-12(13)17-11/h7,10H,3-6H2,1-2H3
InChIKeyHREZFMXIINFWFF-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.54
Rot. Bonds4

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

2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 172576465) has the molecular formula C12H16ClF2N3O and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID172576465
Molecular FormulaC12H16ClF2N3O
Molecular Weight291.73 g/mol
Exact Mass291.09
IUPAC Name2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1nc(Cl)nc2c1CN(CC(F)F)CC2
InChIInChI=1S/C12H16ClF2N3O/c1-7(2)19-11-8-5-18(6-10(14)15)4-3-9(8)16-12(13)17-11/h7,10H,3-6H2,1-2H3
InChIKeyHREZFMXIINFWFF-UHFFFAOYSA-N
XLogP2.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-(2,2-difluoroethyl)-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

Related Compounds

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
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
2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 102386112
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
2-Cyclopropyl-7-methyl-4-(3,3,3-trifluoropropoxy)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 11709448
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
2-Fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576404
2-Fluoro-7-methyl-4-propan-2-yloxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 172576416
2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576417
6-(difluoromethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576418
2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 172576465) is 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)Oc1nc(Cl)nc2c1CN(CC(F)F)CC2.
What is the InChIKey of 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HREZFMXIINFWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N3O/c1-7(2)19-11-8-5-18(6-10(14)15)4-3-9(8)16-12(13)17-11/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 291.73 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).