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

C11H15ClF3N3O — CID 66969700

IUPAC2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCOCCc1nc2c(c(C(F)(F)F)n1)CCNC2.Cl
InChIInChI=1S/C11H14F3N3O.ClH/c1-18-5-3-9-16-8-6-15-4-2-7(8)10(17-9)11(12,13)14;/h15H,2-6H2,1H3;1H
InChIKeyCVDBARKNJALARX-UHFFFAOYSA-N
MW297.71 g/mol
LogP1.75
Rot. Bonds3

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

2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 66969700) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID66969700
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCOCCc1nc2c(c(C(F)(F)F)n1)CCNC2.Cl
InChIInChI=1S/C11H14F3N3O.ClH/c1-18-5-3-9-16-8-6-15-4-2-7(8)10(17-9)11(12,13)14;/h15H,2-6H2,1H3;1H
InChIKeyCVDBARKNJALARX-UHFFFAOYSA-N
XLogP1.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 66969700) is 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is COCCc1nc2c(c(C(F)(F)F)n1)CCNC2.Cl.
What is the InChIKey of 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is CVDBARKNJALARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O.ClH/c1-18-5-3-9-16-8-6-15-4-2-7(8)10(17-9)11(12,13)14;/h15H,2-6H2,1H3;1H.
What are the key properties of 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 297.71 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 66969700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).