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

C11H14F3N3 — CID 66969803

IUPAC2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(F)(F)F)n1)CCNC2
InChIInChI=1S/C11H14F3N3/c1-6(2)10-16-8-5-15-4-3-7(8)9(17-10)11(12,13)14/h6,15H,3-5H2,1-2H3
InChIKeyFRGPOHAXFBMPKQ-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.26
Rot. Bonds1

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

2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 66969803) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID66969803
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(F)(F)F)n1)CCNC2
InChIInChI=1S/C11H14F3N3/c1-6(2)10-16-8-5-15-4-3-7(8)9(17-10)11(12,13)14/h6,15H,3-5H2,1-2H3
InChIKeyFRGPOHAXFBMPKQ-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 66969803) is 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CC(C)c1nc2c(c(C(F)(F)F)n1)CCNC2.
What is the InChIKey of 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is FRGPOHAXFBMPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-6(2)10-16-8-5-15-4-3-7(8)9(17-10)11(12,13)14/h6,15H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 66969803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).