2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C9H9F3N4O — CID 144690089

IUPAC2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(NCCC(F)(F)F)nc2N1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)1-2-13-8-14-4-5-3-6(17)15-7(5)16-8/h4H,1-3H2,(H2,13,14,15,16,17)
InChIKeyXBYOWMSBWDXEFR-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.34
Rot. Bonds3

About 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 144690089) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID144690089
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(NCCC(F)(F)F)nc2N1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)1-2-13-8-14-4-5-3-6(17)15-7(5)16-8/h4H,1-3H2,(H2,13,14,15,16,17)
InChIKeyXBYOWMSBWDXEFR-UHFFFAOYSA-N
XLogP1.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-((1-methylethyl)amino)-, monohydrochloride
CID 3078644
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
CID 3078642
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-ethyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078674
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-butyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078678
2-(methylsulfanyl)-5H,6H,7H-pyrrolo(2,3-d)pyrimidin-6-one
CID 55279068
2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
CID 2763296
2-chloro-7-methyl-5H,6H,7H-pyrrolo(2,3-d)pyrimidin-6-one
CID 58398943
5H-Pyrrolo[2,3-d]pyrimidin-6(7H)-one
CID 15525019
7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 3078695
4-Amino-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 20111771
2-Methyl-1H-pyrrolo[2,3-d]pyrimidin-6(5H)-one
CID 21945830
4-Amino-2-methyl-5-pyrimidineacetamide
CID 22217349

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 144690089) is 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2cnc(NCCC(F)(F)F)nc2N1.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is XBYOWMSBWDXEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)1-2-13-8-14-4-5-3-6(17)15-7(5)16-8/h4H,1-3H2,(H2,13,14,15,16,17).
What are the key properties of 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 246.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 144690089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).