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

C11H9FN4OS — CID 135529450

IUPAC2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccsc3)c(F)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H9FN4OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3H2,(H3,13,15,16,17)
InChIKeyCDIFARLQDZIQCL-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.62
Rot. Bonds2

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

2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135529450) has the molecular formula C11H9FN4OS and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135529450
Molecular FormulaC11H9FN4OS
Molecular Weight264.28 g/mol
Exact Mass264.05
IUPAC Name2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccsc3)c(F)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H9FN4OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3H2,(H3,13,15,16,17)
InChIKeyCDIFARLQDZIQCL-UHFFFAOYSA-N
XLogP1.62
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CI 972
CID 135418360
9-Deaza-9-(3-thienylmethyl)guanine
CID 135512468
CI-972 free base
CID 135418361
7-Thiophen-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135474205
2-Amino-7-thiophen-2-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135535919
2,6-Diamino-7-(thiophen-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
CID 136179496
2,6-Diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one hydrochloride monohydrate
CID 135565843
2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide
CID 46206215
2,6-Diamino-7-thiophen-2-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one; hydrochloride
CID 135789843
2,2,2-trifluoro-N-[2-[7-isocyano-6-(3-methylthiophen-2-yl)-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide
CID 136043131
2,2,2-trifluoro-N-[2-[7-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide
CID 143006693
2-Amino-6-methyl-5-thiophen-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275794

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135529450) is 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3ccsc3)c(F)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is CDIFARLQDZIQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3H2,(H3,13,15,16,17).
What are the key properties of 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 264.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135529450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).