6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C16H22F2N6OS — CID 126943983

IUPAC6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN(C)c1nc(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)ns1
InChIInChI=1S/C16H22F2N6OS/c1-22(2)16-20-13(21-26-16)9-23-5-3-11(4-6-23)8-24-10-19-12(15(17)18)7-14(24)25/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeySCHXOSGTEMTCTF-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.01
Rot. Bonds6

About 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126943983) has the molecular formula C16H22F2N6OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126943983
Molecular FormulaC16H22F2N6OS
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN(C)c1nc(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)ns1
InChIInChI=1S/C16H22F2N6OS/c1-22(2)16-20-13(21-26-16)9-23-5-3-11(4-6-23)8-24-10-19-12(15(17)18)7-14(24)25/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeySCHXOSGTEMTCTF-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944098
3-(cyclopropylmethyl)-7-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]quinazolin-4-one
CID 126897768
6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944047
6-(difluoromethyl)-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944037
3-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944006
6-(difluoromethyl)-3-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944130
[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol
CID 136514582
6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944171
6-(difluoromethyl)-3-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944059
3-[(1-cyclohexylpiperidin-4-yl)methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126943917
6-(difluoromethyl)-3-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944070

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126943983) is 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one is CN(C)c1nc(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)ns1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is SCHXOSGTEMTCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N6OS/c1-22(2)16-20-13(21-26-16)9-23-5-3-11(4-6-23)8-24-10-19-12(15(17)18)7-14(24)25/h7,10-11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 384.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126943983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).