2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C17H23N5OS — CID 118791937

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)nc(SC(C)C(=O)N2CCC(c3ccn[nH]3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-11-10-12(2)20-17(19-11)24-13(3)16(23)22-8-5-14(6-9-22)15-4-7-18-21-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,18,21)
InChIKeyYRFVFHRCXVYZRY-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.70
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 118791937) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID118791937
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)nc(SC(C)C(=O)N2CCC(c3ccn[nH]3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-11-10-12(2)20-17(19-11)24-13(3)16(23)22-8-5-14(6-9-22)15-4-7-18-21-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,18,21)
InChIKeyYRFVFHRCXVYZRY-UHFFFAOYSA-N
XLogP2.70
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide
CID 126782517
(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 136533986
8-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 126432825
8-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118772035
2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 91645884
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
(2S)-1-(4-benzylpiperidin-1-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8735182
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 138015038
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 154823721
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 99979692

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 118791937) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is Cc1cc(C)nc(SC(C)C(=O)N2CCC(c3ccn[nH]3)CC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YRFVFHRCXVYZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-10-12(2)20-17(19-11)24-13(3)16(23)22-8-5-14(6-9-22)15-4-7-18-21-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,18,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118791937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).