6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one

C15H21F2N3O2 — CID 126944146

IUPAC6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(C2CCC2O)CC1
InChIInChI=1S/C15H21F2N3O2/c16-15(17)11-7-14(22)20(9-18-11)8-10-3-5-19(6-4-10)12-1-2-13(12)21/h7,9-10,12-13,15,21H,1-6,8H2
InChIKeyZPOSNTBTIGMWNS-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.42
Rot. Bonds4

About 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944146) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944146
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(C2CCC2O)CC1
InChIInChI=1S/C15H21F2N3O2/c16-15(17)11-7-14(22)20(9-18-11)8-10-3-5-19(6-4-10)12-1-2-13(12)21/h7,9-10,12-13,15,21H,1-6,8H2
InChIKeyZPOSNTBTIGMWNS-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944146) is 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C(F)F)ncn1CC1CCN(C2CCC2O)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ZPOSNTBTIGMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c16-15(17)11-7-14(22)20(9-18-11)8-10-3-5-19(6-4-10)12-1-2-13(12)21/h7,9-10,12-13,15,21H,1-6,8H2.
What are the key properties of 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 313.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).