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

C11H13ClF3N3 — CID 66969622

IUPAC2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CC2)nc2c1CCNC2
InChIInChI=1S/C11H12F3N3.ClH/c12-11(13,14)9-7-3-4-15-5-8(7)16-10(17-9)6-1-2-6;/h6,15H,1-5H2;1H
InChIKeyQDKIRCFWCJSTHW-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.44
Rot. Bonds1

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

2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 66969622) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID66969622
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CC2)nc2c1CCNC2
InChIInChI=1S/C11H12F3N3.ClH/c12-11(13,14)9-7-3-4-15-5-8(7)16-10(17-9)6-1-2-6;/h6,15H,1-5H2;1H
InChIKeyQDKIRCFWCJSTHW-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 66969622) is 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is Cl.FC(F)(F)c1nc(C2CC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is QDKIRCFWCJSTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3.ClH/c12-11(13,14)9-7-3-4-15-5-8(7)16-10(17-9)6-1-2-6;/h6,15H,1-5H2;1H.
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 279.69 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 66969622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).