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

C13H11FN4O — CID 135412719

IUPAC2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3cccc(F)c3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11FN4O/c14-9-3-1-2-7(5-9)4-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-3,5-6,16H,4H2,(H3,15,17,18,19)
InChIKeyWOWBUNTUMYSYSI-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.56
Rot. Bonds2

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

2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135412719) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135412719
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3cccc(F)c3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11FN4O/c14-9-3-1-2-7(5-9)4-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-3,5-6,16H,4H2,(H3,15,17,18,19)
InChIKeyWOWBUNTUMYSYSI-UHFFFAOYSA-N
XLogP1.56
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
[5-(2-Amino-4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-1,1-Difluoropentyl]phosphonic Acid
CID 135566455
9-Deaza-9-(3-thienylmethyl)guanine
CID 135512468
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
9-[6'',6''-Difluoro-6''-(diethylphosphono)hexyl]-9-deazaguanine
CID 136066048
9-[7'',7''-Difluoro-7''-(diethylphosphono)heptyl]-9-deazaguanine
CID 136066049
2-Amino-7-(8-diethoxyphosphoryl-8,8-difluorooctyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136066050
2-[[2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-3-yl]methyl]-4-fluorobenzonitrile
CID 145952476
2-[[2-[(3R)-3-aminopiperidin-1-yl]-7-(4-fluorophenyl)-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-3-yl]methyl]-4-fluorobenzonitrile
CID 145962482
2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400988
2-Amino-7-(3-methyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412717
2-Amino-7-(3,4-dichloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412825

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135412719) is 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3cccc(F)c3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is WOWBUNTUMYSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-9-3-1-2-7(5-9)4-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-3,5-6,16H,4H2,(H3,15,17,18,19).
What are the key properties of 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 258.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(3-fluorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135412719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).