2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C13H12F3N5O — CID 23585147

IUPAC2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CC(F)(F)F)CCNC3=O)n1
InChIInChI=1S/C13H12F3N5O/c14-13(15,16)6-21-9-2-4-18-11(22)7(9)5-10(21)8-1-3-19-12(17)20-8/h1,3,5H,2,4,6H2,(H,18,22)(H2,17,19,20)
InChIKeyFZQGWLBZCBLLGD-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.38
Rot. Bonds2

About 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585147) has the molecular formula C13H12F3N5O and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585147
Molecular FormulaC13H12F3N5O
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CC(F)(F)F)CCNC3=O)n1
InChIInChI=1S/C13H12F3N5O/c14-13(15,16)6-21-9-2-4-18-11(22)7(9)5-10(21)8-1-3-19-12(17)20-8/h1,3,5H,2,4,6H2,(H,18,22)(H2,17,19,20)
InChIKeyFZQGWLBZCBLLGD-UHFFFAOYSA-N
XLogP1.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ck-2127107
CID 67454400
Variolin B
CID 9817550
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11207259
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11266364
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-(2-Amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 11300082

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585147) is 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c(n2CC(F)(F)F)CCNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FZQGWLBZCBLLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O/c14-13(15,16)6-21-9-2-4-18-11(22)7(9)5-10(21)8-1-3-19-12(17)20-8/h1,3,5H,2,4,6H2,(H,18,22)(H2,17,19,20).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 311.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).