6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H11F3N4 — CID 121183263

IUPAC6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(N2CCc3ncncc3C2)nc1
InChIInChI=1S/C13H11F3N4/c14-13(15,16)10-1-2-12(18-6-10)20-4-3-11-9(7-20)5-17-8-19-11/h1-2,5-6,8H,3-4,7H2
InChIKeyZHAMZHFBNOKPEP-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.45
Rot. Bonds1

About 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121183263) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121183263
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(N2CCc3ncncc3C2)nc1
InChIInChI=1S/C13H11F3N4/c14-13(15,16)10-1-2-12(18-6-10)20-4-3-11-9(7-20)5-17-8-19-11/h1-2,5-6,8H,3-4,7H2
InChIKeyZHAMZHFBNOKPEP-UHFFFAOYSA-N
XLogP2.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121183263) is 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ccc(N2CCc3ncncc3C2)nc1.
What is the InChIKey of 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZHAMZHFBNOKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c14-13(15,16)10-1-2-12(18-6-10)20-4-3-11-9(7-20)5-17-8-19-11/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 280.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121183263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).