5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one

C5H5F2N3O — CID 136678712

IUPAC5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one
SMILESNc1c(C(F)F)nc[nH]c1=O
InChIInChI=1S/C5H5F2N3O/c6-4(7)3-2(8)5(11)10-1-9-3/h1,4H,8H2,(H,9,10,11)
InChIKeyAUQOYFFNHRZQED-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.29
Rot. Bonds1

About 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one

5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136678712) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one
PubChem CID136678712
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC Name5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one
SMILESNc1c(C(F)F)nc[nH]c1=O
InChIInChI=1S/C5H5F2N3O/c6-4(7)3-2(8)5(11)10-1-9-3/h1,4H,8H2,(H,9,10,11)
InChIKeyAUQOYFFNHRZQED-UHFFFAOYSA-N
XLogP0.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one (CID 136678712) is 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one is Nc1c(C(F)F)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is AUQOYFFNHRZQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-4(7)3-2(8)5(11)10-1-9-3/h1,4H,8H2,(H,9,10,11).
What are the key properties of 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one?
5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 161.11 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(difluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136678712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).