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

C15H21N5OS — CID 126942387

IUPAC6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(c3nncs3)CC2)cn1
InChIInChI=1S/C15H21N5OS/c1-11(2)13-7-14(21)20(9-16-13)8-12-3-5-19(6-4-12)15-18-17-10-22-15/h7,9-12H,3-6,8H2,1-2H3
InChIKeyXJLPDISLZVFWDK-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.13
Rot. Bonds4

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

6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126942387) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126942387
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(c3nncs3)CC2)cn1
InChIInChI=1S/C15H21N5OS/c1-11(2)13-7-14(21)20(9-16-13)8-12-3-5-19(6-4-12)15-18-17-10-22-15/h7,9-12H,3-6,8H2,1-2H3
InChIKeyXJLPDISLZVFWDK-UHFFFAOYSA-N
XLogP2.13
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942191
3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942171
3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942453
3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942335
3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942420
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942429
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942346
1,5-dimethyl-6-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 126942431
3-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942196

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126942387) is 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(c3nncs3)CC2)cn1.
What is the InChIKey of 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is XJLPDISLZVFWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(2)13-7-14(21)20(9-16-13)8-12-3-5-19(6-4-12)15-18-17-10-22-15/h7,9-12H,3-6,8H2,1-2H3.
What are the key properties of 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 319.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126942387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).