1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol

C17H17N5OS — CID 110220030

IUPAC1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol
SMILESOC1CCCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)C1
InChIInChI=1S/C17H17N5OS/c23-12-3-1-7-22(11-12)17-20-9-13(14-10-18-5-6-19-14)16(21-17)15-4-2-8-24-15/h2,4-6,8-10,12,23H,1,3,7,11H2
InChIKeyMTHICLMWGPBYJP-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.62
Rot. Bonds3

About 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol

1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol (PubChem CID 110220030) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol
PubChem CID110220030
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol
SMILESOC1CCCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)C1
InChIInChI=1S/C17H17N5OS/c23-12-3-1-7-22(11-12)17-20-9-13(14-10-18-5-6-19-14)16(21-17)15-4-2-8-24-15/h2,4-6,8-10,12,23H,1,3,7,11H2
InChIKeyMTHICLMWGPBYJP-UHFFFAOYSA-N
XLogP2.62
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95800124
(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol
CID 51590868
N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 95801226
N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800139
2-methyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidine
CID 95857470
5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine
CID 110220898
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
CID 95800063
1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol
CID 110237342
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
CID 56770286
(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol
CID 95801272
11-(5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 110237017
1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
CID 95801634

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol?
The IUPAC name of 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol (CID 110220030) is 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol?
The canonical SMILES for 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol is OC1CCCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)C1.
What is the InChIKey of 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol?
The InChIKey is MTHICLMWGPBYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-12-3-1-7-22(11-12)17-20-9-13(14-10-18-5-6-19-14)16(21-17)15-4-2-8-24-15/h2,4-6,8-10,12,23H,1,3,7,11H2.
What are the key properties of 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol?
1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol has a molecular weight of 339.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol is sourced from PubChem (CID 110220030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).