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

C11H15ClF3N3 — CID 66969802

IUPAC2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCC(C)c1nc2c(c(C(F)(F)F)n1)CCNC2.Cl
InChIInChI=1S/C11H14F3N3.ClH/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;1H
InChIKeyHBJFGRUEURBJEF-UHFFFAOYSA-N
MW281.71 g/mol
LogP2.69
Rot. Bonds1

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

2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 66969802) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID66969802
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC Name2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCC(C)c1nc2c(c(C(F)(F)F)n1)CCNC2.Cl
InChIInChI=1S/C11H14F3N3.ClH/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;1H
InChIKeyHBJFGRUEURBJEF-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 52.69
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;hydrochloride?
The IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 66969802) is 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is CC(C)c1nc2c(c(C(F)(F)F)n1)CCNC2.Cl.
What is the InChIKey of 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is HBJFGRUEURBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3.ClH/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;1H.
What are the key properties of 2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
2-propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 281.71 g/mol, XLogP of 2.69, 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;hydrochloride is sourced from PubChem (CID 66969802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).