2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C10H8F6N4O — CID 153361639

IUPAC2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c(NCCC(F)(F)F)nc(C(F)(F)F)nc2N1
InChIInChI=1S/C10H8F6N4O/c11-9(12,13)1-2-17-6-4-3-5(21)18-7(4)20-8(19-6)10(14,15)16/h1-3H2,(H2,17,18,19,20,21)
InChIKeyUKXUBCGQBFQVLM-UHFFFAOYSA-N
MW314.19 g/mol
LogP2.35
Rot. Bonds3

About 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 153361639) has the molecular formula C10H8F6N4O and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID153361639
Molecular FormulaC10H8F6N4O
Molecular Weight314.19 g/mol
Exact Mass314.06
IUPAC Name2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c(NCCC(F)(F)F)nc(C(F)(F)F)nc2N1
InChIInChI=1S/C10H8F6N4O/c11-9(12,13)1-2-17-6-4-3-5(21)18-7(4)20-8(19-6)10(14,15)16/h1-3H2,(H2,17,18,19,20,21)
InChIKeyUKXUBCGQBFQVLM-UHFFFAOYSA-N
XLogP2.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

4-Amino-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 20111771
4-amino-5,5-dimethyl-2-(4,4,5,5,5-pentafluoropentyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58425692
2-(Trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 90374937
4-(3,3,3-Trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 141366504
5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 141366505
5,5-dimethyl-4-(3,3,3-trifluoropropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 141366508
2-(3,3,3-Trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 144690089
5-methyl-5-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 175699071
4-Amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 82393357
5,5-difluoro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 126970396
2-(3,3,4,4,4-Pentafluorobutyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 160158290
4-amino-7-[5-(azepan-1-yl)pentyl]-2-(butylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082101

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 153361639) is 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2c(NCCC(F)(F)F)nc(C(F)(F)F)nc2N1.
What is the InChIKey of 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is UKXUBCGQBFQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N4O/c11-9(12,13)1-2-17-6-4-3-5(21)18-7(4)20-8(19-6)10(14,15)16/h1-3H2,(H2,17,18,19,20,21).
What are the key properties of 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 314.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 153361639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).