6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one

C5H5F2N3O — CID 23158405

IUPAC6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1C(F)F
InChIInChI=1S/C5H5F2N3O/c6-3(7)2-1-9-5(11)10-4(2)8/h1,3H,(H3,8,9,10,11)
InChIKeySXIYEPVAXKIRKQ-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.29
Rot. Bonds1

About 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one

6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one (PubChem CID 23158405) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one
PubChem CID23158405
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC Name6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1C(F)F
InChIInChI=1S/C5H5F2N3O/c6-3(7)2-1-9-5(11)10-4(2)8/h1,3H,(H3,8,9,10,11)
InChIKeySXIYEPVAXKIRKQ-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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Related Compounds

Flucytosine
CID 3366
5-Methylcytosine
CID 65040
5-(Trifluoromethyl)-cytosine
CID 21919030
4-Fluoro-5-methyl-2-pyrimidinone
CID 45080052
5-Methyl-6-(trifluoromethyl)-2(1H)-pyrimidinone
CID 13320943
6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one
CID 13166058
5,6-difluoro-1H-pyrimidin-2-one
CID 18970290
6-Amino-5-(fluoromethyl)pyrimidin-2(1H)-one
CID 22172510
6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 118908184
6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 130909431
6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one
CID 146502537
6-amino-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-2-one
CID 146502539

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one (CID 23158405) is 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is SXIYEPVAXKIRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-3(7)2-1-9-5(11)10-4(2)8/h1,3H,(H3,8,9,10,11).
What are the key properties of 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one?
6-amino-5-(difluoromethyl)-1H-pyrimidin-2-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 6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 23158405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).