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

C7H5F3N4O — CID 135451999

IUPAC2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)3-1-2-4(12-3)13-6(11)14-5(2)15/h1H,(H4,11,12,13,14,15)
InChIKeyWHYZARQJWWPONY-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.85
Rot. Bonds

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

2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135451999) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135451999
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)3-1-2-4(12-3)13-6(11)14-5(2)15/h1H,(H4,11,12,13,14,15)
InChIKeyWHYZARQJWWPONY-UHFFFAOYSA-N
XLogP0.85
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135493707
6-Ethyl-2-mercapto-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 67034987
(4-bromophenyl)(5,7,7-trimethyl-7H-imidazo[2,1-b][1,3]thiazin-3-yl)methanone
CID 135460931
2-Amino-6-phenethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135479891
6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol
CID 68387390
2-Amino-6-ethyl-3,7-dihydro-pyrrolo
CID 135438441
2-Amino-6-(2-aminoethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
CID 152552673
2-Amino-6-[2-(p-tolyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135449089
2-(carbamoylamino)-5-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 25005709
2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 25005712
2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 25006448

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135451999) is 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(C(F)(F)F)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is WHYZARQJWWPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c8-7(9,10)3-1-2-4(12-3)13-6(11)14-5(2)15/h1H,(H4,11,12,13,14,15).
What are the key properties of 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 218.14 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135451999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).