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

C7H5F3N4O — CID 82393357

IUPAC4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)nc2c1CC(=O)N2
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)6-13-4(11)2-1-3(15)12-5(2)14-6/h1H2,(H3,11,12,13,14,15)
InChIKeyBKWMIHYQIXERLU-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.57
Rot. Bonds

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

4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 82393357) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID82393357
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)nc2c1CC(=O)N2
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)6-13-4(11)2-1-3(15)12-5(2)14-6/h1H2,(H3,11,12,13,14,15)
InChIKeyBKWMIHYQIXERLU-UHFFFAOYSA-N
XLogP0.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methoxy-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 59419276
2,4-dichloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 83669847
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
5-(Trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 130297085
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
2-(Trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 153361639
5-methyl-5-(trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 175699071

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 82393357) is 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(C(F)(F)F)nc2c1CC(=O)N2.
What is the InChIKey of 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is BKWMIHYQIXERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c8-7(9,10)6-13-4(11)2-1-3(15)12-5(2)14-6/h1H2,(H3,11,12,13,14,15).
What are the key properties of 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 218.14 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 82393357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).