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

C13H17ClF3N3 — CID 66969758

IUPAC2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H16F3N3.ClH/c14-13(15,16)11-9-5-6-17-7-10(9)18-12(19-11)8-3-1-2-4-8;/h8,17H,1-7H2;1H
InChIKeyXBLNPVMPVFYCJY-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.22
Rot. Bonds1

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

2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 66969758) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID66969758
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H16F3N3.ClH/c14-13(15,16)11-9-5-6-17-7-10(9)18-12(19-11)8-3-1-2-4-8;/h8,17H,1-7H2;1H
InChIKeyXBLNPVMPVFYCJY-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 66969758) is 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is Cl.FC(F)(F)c1nc(C2CCCC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is XBLNPVMPVFYCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3.ClH/c14-13(15,16)11-9-5-6-17-7-10(9)18-12(19-11)8-3-1-2-4-8;/h8,17H,1-7H2;1H.
What are the key properties of 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 307.75 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 66969758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).