2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C6H5FN4O — CID 137148909

IUPAC2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(F)c2c(=O)[nH]1
InChIInChI=1S/C6H5FN4O/c7-2-1-9-4-3(2)5(12)11-6(8)10-4/h1H,(H4,8,9,10,11,12)
InChIKeyUTOPRERTJRARPW-UHFFFAOYSA-N
MW168.13 g/mol
LogP-0.03
Rot. Bonds

About 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137148909) has the molecular formula C6H5FN4O and a molecular weight of 168.13 g/mol. Its IUPAC name is 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137148909
Molecular FormulaC6H5FN4O
Molecular Weight168.13 g/mol
Exact Mass168.04
IUPAC Name2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(F)c2c(=O)[nH]1
InChIInChI=1S/C6H5FN4O/c7-2-1-9-4-3(2)5(12)11-6(8)10-4/h1H,(H4,8,9,10,11,12)
InChIKeyUTOPRERTJRARPW-UHFFFAOYSA-N
XLogP-0.03
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137148909) is 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]cc(F)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is UTOPRERTJRARPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O/c7-2-1-9-4-3(2)5(12)11-6(8)10-4/h1H,(H4,8,9,10,11,12).
What are the key properties of 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 168.13 g/mol, XLogP of -0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137148909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).