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

C17H23N5O2S — CID 126941896

IUPAC6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCOCc1nnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)s1
InChIInChI=1S/C17H23N5O2S/c1-24-10-15-19-20-17(25-15)21-6-4-12(5-7-21)9-22-11-18-14(8-16(22)23)13-2-3-13/h8,11-13H,2-7,9-10H2,1H3
InChIKeyBDZTVZKXDLGGGX-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.04
Rot. Bonds6

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

6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941896) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941896
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCOCc1nnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)s1
InChIInChI=1S/C17H23N5O2S/c1-24-10-15-19-20-17(25-15)21-6-4-12(5-7-21)9-22-11-18-14(8-16(22)23)13-2-3-13/h8,11-13H,2-7,9-10H2,1H3
InChIKeyBDZTVZKXDLGGGX-UHFFFAOYSA-N
XLogP2.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941646
6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941776
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941906
6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941642
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126941964
6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 126941950
2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole
CID 126933813
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942580
2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928855
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941896) is 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one is COCc1nnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)s1.
What is the InChIKey of 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is BDZTVZKXDLGGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-24-10-15-19-20-17(25-15)21-6-4-12(5-7-21)9-22-11-18-14(8-16(22)23)13-2-3-13/h8,11-13H,2-7,9-10H2,1H3.
What are the key properties of 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 361.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).