2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C14H13FN4O2 — CID 135702893

IUPAC2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(CO)c3ccccc3F)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H13FN4O2/c15-10-4-2-1-3-7(10)9(6-20)8-5-17-12-11(8)18-14(16)19-13(12)21/h1-5,9,17,20H,6H2,(H3,16,18,19,21)
InChIKeyXGVKDJJOQQXBJQ-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135702893) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135702893
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(CO)c3ccccc3F)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H13FN4O2/c15-10-4-2-1-3-7(10)9(6-20)8-5-17-12-11(8)18-14(16)19-13(12)21/h1-5,9,17,20H,6H2,(H3,16,18,19,21)
InChIKeyXGVKDJJOQQXBJQ-UHFFFAOYSA-N
XLogP1.10
TPSA107.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Immucillin G
CID 135445969
2-amino-7-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136144121
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-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412719
2-amino-7-benzyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135433598
7-Benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135449028
2-Amino-7-(2-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135457936
3-(2-Amino-4-oxo-3H,5H-pyrrolo(3,2-d)pyrimidin-7-yl)-3-(3-chlorophenyl)propanoic acid
CID 135464166
2-Amino-7-cyclohexylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135496257
2-Amino-7-(4-iodo-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135500041
2-Amino-7-(3-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135511829

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135702893) is 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(C(CO)c3ccccc3F)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is XGVKDJJOQQXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-10-4-2-1-3-7(10)9(6-20)8-5-17-12-11(8)18-14(16)19-13(12)21/h1-5,9,17,20H,6H2,(H3,16,18,19,21).
What are the key properties of 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 288.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[1-(2-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135702893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).