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

C17H25F2N3O2 — CID 126944157

IUPAC6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H25F2N3O2/c18-17(19)13-9-16(24)22(11-20-13)10-12-5-7-21(8-6-12)14-3-1-2-4-15(14)23/h9,11-12,14-15,17,23H,1-8,10H2
InChIKeySIIWWOOGFMHNTB-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.20
Rot. Bonds4

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

6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944157) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944157
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H25F2N3O2/c18-17(19)13-9-16(24)22(11-20-13)10-12-5-7-21(8-6-12)14-3-1-2-4-15(14)23/h9,11-12,14-15,17,23H,1-8,10H2
InChIKeySIIWWOOGFMHNTB-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.20
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-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944157) is 6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C(F)F)ncn1CC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is SIIWWOOGFMHNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c18-17(19)13-9-16(24)22(11-20-13)10-12-5-7-21(8-6-12)14-3-1-2-4-15(14)23/h9,11-12,14-15,17,23H,1-8,10H2.
What are the key properties of 6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 341.40 g/mol, XLogP of 2.20, 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-hydroxycyclohexyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).