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

C12H8F4N4 — CID 114739929

IUPAC2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFc1ccc(-c2nc3c(c(C(F)(F)F)n2)CNC3)nc1
InChIInChI=1S/C12H8F4N4/c13-6-1-2-8(18-3-6)11-19-9-5-17-4-7(9)10(20-11)12(14,15)16/h1-3,17H,4-5H2
InChIKeySJHISRGVHHNXRJ-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.30
Rot. Bonds1

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

2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739929) has the molecular formula C12H8F4N4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739929
Molecular FormulaC12H8F4N4
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Name2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFc1ccc(-c2nc3c(c(C(F)(F)F)n2)CNC3)nc1
InChIInChI=1S/C12H8F4N4/c13-6-1-2-8(18-3-6)11-19-9-5-17-4-7(9)10(20-11)12(14,15)16/h1-3,17H,4-5H2
InChIKeySJHISRGVHHNXRJ-UHFFFAOYSA-N
XLogP2.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amprolium ion
CID 2178
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126537450
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}-3-(Pyridin-3-Yl)propan-1-Amine
CID 118656419
2-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}ethanamine
CID 118656528
3-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656529
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
3-methyl-N-(pyridin-4-ylmethyl)imidazo(1,2-a)pyrazin-8-amine
CID 9991833

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739929) is 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Fc1ccc(-c2nc3c(c(C(F)(F)F)n2)CNC3)nc1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is SJHISRGVHHNXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N4/c13-6-1-2-8(18-3-6)11-19-9-5-17-4-7(9)10(20-11)12(14,15)16/h1-3,17H,4-5H2.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 284.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).