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

C13H10F3N3 — CID 177049801

IUPAC2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)c1cc(-c2ncc3c(n2)CCC3)ccn1
InChIInChI=1S/C13H10F3N3/c14-13(15,16)11-6-8(4-5-17-11)12-18-7-9-2-1-3-10(9)19-12/h4-7H,1-3H2
InChIKeyBFFWGLRBWHKLLP-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.05
Rot. Bonds1

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

2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 177049801) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID177049801
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)c1cc(-c2ncc3c(n2)CCC3)ccn1
InChIInChI=1S/C13H10F3N3/c14-13(15,16)11-6-8(4-5-17-11)12-18-7-9-2-1-3-10(9)19-12/h4-7H,1-3H2
InChIKeyBFFWGLRBWHKLLP-UHFFFAOYSA-N
XLogP3.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 177049801) is 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC(F)(F)c1cc(-c2ncc3c(n2)CCC3)ccn1.
What is the InChIKey of 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BFFWGLRBWHKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c14-13(15,16)11-6-8(4-5-17-11)12-18-7-9-2-1-3-10(9)19-12/h4-7H,1-3H2.
What are the key properties of 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 265.24 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 177049801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).