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

C12H15ClF3N3 — CID 66969314

IUPAC2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CCC2)nc2c1CCNC2
InChIInChI=1S/C12H14F3N3.ClH/c13-12(14,15)10-8-4-5-16-6-9(8)17-11(18-10)7-2-1-3-7;/h7,16H,1-6H2;1H
InChIKeyFMMPSFVUCINYSB-UHFFFAOYSA-N
MW293.72 g/mol
LogP2.83
Rot. Bonds1

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

2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 66969314) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID66969314
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CCC2)nc2c1CCNC2
InChIInChI=1S/C12H14F3N3.ClH/c13-12(14,15)10-8-4-5-16-6-9(8)17-11(18-10)7-2-1-3-7;/h7,16H,1-6H2;1H
InChIKeyFMMPSFVUCINYSB-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 66969314) is 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is Cl.FC(F)(F)c1nc(C2CCC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is FMMPSFVUCINYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3.ClH/c13-12(14,15)10-8-4-5-16-6-9(8)17-11(18-10)7-2-1-3-7;/h7,16H,1-6H2;1H.
What are the key properties of 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 293.72 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 66969314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).