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

C18H12F2N4O — CID 137100789

IUPAC2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C18H12F2N4O/c19-11-5-1-9(2-6-11)13-14-16(23-18(21)24-17(14)25)22-15(13)10-3-7-12(20)8-4-10/h1-8H,(H4,21,22,23,24,25)
InChIKeySSIOJLKCDSCNGY-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.45
Rot. Bonds2

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

2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137100789) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137100789
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C18H12F2N4O/c19-11-5-1-9(2-6-11)13-14-16(23-18(21)24-17(14)25)22-15(13)10-3-7-12(20)8-4-10/h1-8H,(H4,21,22,23,24,25)
InChIKeySSIOJLKCDSCNGY-UHFFFAOYSA-N
XLogP3.45
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Vx-702
CID 10341154
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 9
CID 135524117
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-6-(4-Bromophenyl)-5-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566679
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
Pyrrolo-pyrimidone, 2
CID 135524105
Pyrrolo-pyrimidone, 11
CID 135524107
Pyrrolo-pyrimidone, 3
CID 135524114

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137100789) is 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is SSIOJLKCDSCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-11-5-1-9(2-6-11)13-14-16(23-18(21)24-17(14)25)22-15(13)10-3-7-12(20)8-4-10/h1-8H,(H4,21,22,23,24,25).
What are the key properties of 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 338.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137100789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).