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

C9H7F6N3 — CID 58333979

IUPAC2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc2c(c(C(F)(F)F)n1)CCNC2
InChIInChI=1S/C9H7F6N3/c10-8(11,12)6-4-1-2-16-3-5(4)17-7(18-6)9(13,14)15/h16H,1-3H2
InChIKeyZTDOMMMGAAARKM-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.16
Rot. Bonds

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

2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 58333979) has the molecular formula C9H7F6N3 and a molecular weight of 271.16 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID58333979
Molecular FormulaC9H7F6N3
Molecular Weight271.16 g/mol
Exact Mass271.05
IUPAC Name2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc2c(c(C(F)(F)F)n1)CCNC2
InChIInChI=1S/C9H7F6N3/c10-8(11,12)6-4-1-2-16-3-5(4)17-7(18-6)9(13,14)15/h16H,1-3H2
InChIKeyZTDOMMMGAAARKM-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 58333979) is 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is FC(F)(F)c1nc2c(c(C(F)(F)F)n1)CCNC2.
What is the InChIKey of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is ZTDOMMMGAAARKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3/c10-8(11,12)6-4-1-2-16-3-5(4)17-7(18-6)9(13,14)15/h16H,1-3H2.
What are the key properties of 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 271.16 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 58333979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).