2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C10H12F3N3O4S — CID 102386112

IUPAC2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CN(S(=O)(=O)C(F)(F)F)CC2
InChIInChI=1S/C10H12F3N3O4S/c1-19-8-6-5-16(21(17,18)10(11,12)13)4-3-7(6)14-9(15-8)20-2/h3-5H2,1-2H3
InChIKeyLMSXQEPGLJWKOG-UHFFFAOYSA-N
MW327.28 g/mol
LogP0.70
Rot. Bonds3

About 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 102386112) has the molecular formula C10H12F3N3O4S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID102386112
Molecular FormulaC10H12F3N3O4S
Molecular Weight327.28 g/mol
Exact Mass327.05
IUPAC Name2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CN(S(=O)(=O)C(F)(F)F)CC2
InChIInChI=1S/C10H12F3N3O4S/c1-19-8-6-5-16(21(17,18)10(11,12)13)4-3-7(6)14-9(15-8)20-2/h3-5H2,1-2H3
InChIKeyLMSXQEPGLJWKOG-UHFFFAOYSA-N
XLogP0.70
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50989214
2-chloro-4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidinehydrochloride
CID 155820520
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl trifluoromethanesulfonate
CID 172279253
2-Fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576404
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
4-Ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576450
2-chloro-6-(2,2-difluoroethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576465
6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576478
2-chloro-6-(difluoromethyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576484
6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576491

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 102386112) is 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1nc2c(c(OC)n1)CN(S(=O)(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LMSXQEPGLJWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4S/c1-19-8-6-5-16(21(17,18)10(11,12)13)4-3-7(6)14-9(15-8)20-2/h3-5H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 327.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 102386112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).