5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

C6H7F2N3O2 — CID 103241900

IUPAC5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC(F)F)nc[nH]c1=O
InChIInChI=1S/C6H7F2N3O2/c7-3(8)1-13-6-4(9)5(12)10-2-11-6/h2-3H,1,9H2,(H,10,11,12)
InChIKeyYSGYJXRYDIDWAD-UHFFFAOYSA-N
MW191.14 g/mol
LogP-0.00
Rot. Bonds3

About 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 103241900) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
PubChem CID103241900
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC(F)F)nc[nH]c1=O
InChIInChI=1S/C6H7F2N3O2/c7-3(8)1-13-6-4(9)5(12)10-2-11-6/h2-3H,1,9H2,(H,10,11,12)
InChIKeyYSGYJXRYDIDWAD-UHFFFAOYSA-N
XLogP-0.00
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (CID 103241900) is 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is Nc1c(OCC(F)F)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is YSGYJXRYDIDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c7-3(8)1-13-6-4(9)5(12)10-2-11-6/h2-3H,1,9H2,(H,10,11,12).
What are the key properties of 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 191.14 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).