5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one

C10H7F2N3O2 — CID 103241595

IUPAC5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2cc(F)cc(F)c2)nc[nH]c1=O
InChIInChI=1S/C10H7F2N3O2/c11-5-1-6(12)3-7(2-5)17-10-8(13)9(16)14-4-15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyRBBAHVLCNZXPFE-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.42
Rot. Bonds2

About 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one

5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one (PubChem CID 103241595) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one
PubChem CID103241595
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2cc(F)cc(F)c2)nc[nH]c1=O
InChIInChI=1S/C10H7F2N3O2/c11-5-1-6(12)3-7(2-5)17-10-8(13)9(16)14-4-15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyRBBAHVLCNZXPFE-UHFFFAOYSA-N
XLogP1.42
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one (CID 103241595) is 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one is Nc1c(Oc2cc(F)cc(F)c2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one?
The InChIKey is RBBAHVLCNZXPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-5-1-6(12)3-7(2-5)17-10-8(13)9(16)14-4-15-10/h1-4H,13H2,(H,14,15,16).
What are the key properties of 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one?
5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one has a molecular weight of 239.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,5-difluorophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).