5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one

C10H8FN3O3 — CID 146290975

IUPAC5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc(F)c(O)c2)nc[nH]c1=O
InChIInChI=1S/C10H8FN3O3/c11-6-2-1-5(3-7(6)15)17-10-8(12)9(16)13-4-14-10/h1-4,15H,12H2,(H,13,14,16)
InChIKeyZKGKLCQOGZCDPB-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.99
Rot. Bonds2

About 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one

5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one (PubChem CID 146290975) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one
PubChem CID146290975
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Name5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc(F)c(O)c2)nc[nH]c1=O
InChIInChI=1S/C10H8FN3O3/c11-6-2-1-5(3-7(6)15)17-10-8(12)9(16)13-4-14-10/h1-4,15H,12H2,(H,13,14,16)
InChIKeyZKGKLCQOGZCDPB-UHFFFAOYSA-N
XLogP0.99
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one (CID 146290975) is 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one is Nc1c(Oc2ccc(F)c(O)c2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
The InChIKey is ZKGKLCQOGZCDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c11-6-2-1-5(3-7(6)15)17-10-8(12)9(16)13-4-14-10/h1-4,15H,12H2,(H,13,14,16).
What are the key properties of 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one?
5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one has a molecular weight of 237.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-fluoro-3-hydroxyphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 146290975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).