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

C14H13FN4O2 — CID 135702891

IUPAC2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(CO)c3ccc(F)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H13FN4O2/c15-8-3-1-7(2-4-8)10(6-20)9-5-17-12-11(9)18-14(16)19-13(12)21/h1-5,10,17,20H,6H2,(H3,16,18,19,21)
InChIKeyBOOIYVPHSGKOBJ-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.10
Rot. Bonds3

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

2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135702891) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135702891
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(CO)c3ccc(F)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H13FN4O2/c15-8-3-1-7(2-4-8)10(6-20)9-5-17-12-11(9)18-14(16)19-13(12)21/h1-5,10,17,20H,6H2,(H3,16,18,19,21)
InChIKeyBOOIYVPHSGKOBJ-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135702891) is 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(C(CO)c3ccc(F)cc3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is BOOIYVPHSGKOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-8-3-1-7(2-4-8)10(6-20)9-5-17-12-11(9)18-14(16)19-13(12)21/h1-5,10,17,20H,6H2,(H3,16,18,19,21).
What are the key properties of 2-amino-7-[1-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[1-(4-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-(4-fluorophenyl)-2-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135702891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).