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

C12H10F3N5 — CID 56777988

IUPAC7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCc3cncnc3C2)n1
InChIInChI=1S/C12H10F3N5/c13-12(14,15)10-1-3-17-11(19-10)20-4-2-8-5-16-7-18-9(8)6-20/h1,3,5,7H,2,4,6H2
InChIKeyZIYZOOKBZUVONF-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.85
Rot. Bonds1

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

7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 56777988) has the molecular formula C12H10F3N5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID56777988
Molecular FormulaC12H10F3N5
Molecular Weight281.24 g/mol
Exact Mass281.09
IUPAC Name7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCc3cncnc3C2)n1
InChIInChI=1S/C12H10F3N5/c13-12(14,15)10-1-3-17-11(19-10)20-4-2-8-5-16-7-18-9(8)6-20/h1,3,5,7H,2,4,6H2
InChIKeyZIYZOOKBZUVONF-UHFFFAOYSA-N
XLogP1.85
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 56777988) is 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is FC(F)(F)c1ccnc(N2CCc3cncnc3C2)n1.
What is the InChIKey of 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is ZIYZOOKBZUVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5/c13-12(14,15)10-1-3-17-11(19-10)20-4-2-8-5-16-7-18-9(8)6-20/h1,3,5,7H,2,4,6H2.
What are the key properties of 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 281.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 56777988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).