6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one

C10H13F2N3O — CID 126857695

IUPAC6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1C1CCCNC1
InChIInChI=1S/C10H13F2N3O/c11-10(12)8-4-9(16)15(6-14-8)7-2-1-3-13-5-7/h4,6-7,10,13H,1-3,5H2
InChIKeyTYDNVHQOYJIIKJ-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.11
Rot. Bonds2

About 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one

6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one (PubChem CID 126857695) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one
PubChem CID126857695
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1C1CCCNC1
InChIInChI=1S/C10H13F2N3O/c11-10(12)8-4-9(16)15(6-14-8)7-2-1-3-13-5-7/h4,6-7,10,13H,1-3,5H2
InChIKeyTYDNVHQOYJIIKJ-UHFFFAOYSA-N
XLogP1.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one (CID 126857695) is 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one is O=c1cc(C(F)F)ncn1C1CCCNC1.
What is the InChIKey of 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one?
The InChIKey is TYDNVHQOYJIIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)8-4-9(16)15(6-14-8)7-2-1-3-13-5-7/h4,6-7,10,13H,1-3,5H2.
What are the key properties of 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one?
6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one has a molecular weight of 229.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-piperidin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126857695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).