6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C11H14F3N3 — CID 59513895

IUPAC6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)N1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C11H14F3N3/c1-7(2)17-4-3-9-8(6-17)5-15-10(16-9)11(12,13)14/h5,7H,3-4,6H2,1-2H3
InChIKeyCNQTWGNZKCZRHM-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.26
Rot. Bonds1

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

6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 59513895) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID59513895
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)N1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C11H14F3N3/c1-7(2)17-4-3-9-8(6-17)5-15-10(16-9)11(12,13)14/h5,7H,3-4,6H2,1-2H3
InChIKeyCNQTWGNZKCZRHM-UHFFFAOYSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 59513895) is 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)N1CCc2nc(C(F)(F)F)ncc2C1.
What is the InChIKey of 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CNQTWGNZKCZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7(2)17-4-3-9-8(6-17)5-15-10(16-9)11(12,13)14/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 59513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).