5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine

C18H21N5S — CID 110220898

IUPAC5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine
SMILESCC1CCCN(c2ncc(-c3nccn3C)c(-c3cccs3)n2)C1
InChIInChI=1S/C18H21N5S/c1-13-5-3-8-23(12-13)18-20-11-14(17-19-7-9-22(17)2)16(21-18)15-6-4-10-24-15/h4,6-7,9-11,13H,3,5,8,12H2,1-2H3
InChIKeyLDIHNPQLGFOIRF-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.84
Rot. Bonds3

About 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine

5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine (PubChem CID 110220898) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine
PubChem CID110220898
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine
SMILESCC1CCCN(c2ncc(-c3nccn3C)c(-c3cccs3)n2)C1
InChIInChI=1S/C18H21N5S/c1-13-5-3-8-23(12-13)18-20-11-14(17-19-7-9-22(17)2)16(21-18)15-6-4-10-24-15/h4,6-7,9-11,13H,3,5,8,12H2,1-2H3
InChIKeyLDIHNPQLGFOIRF-UHFFFAOYSA-N
XLogP3.84
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine?
The IUPAC name of 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine (CID 110220898) is 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine is CC1CCCN(c2ncc(-c3nccn3C)c(-c3cccs3)n2)C1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine?
The InChIKey is LDIHNPQLGFOIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-13-5-3-8-23(12-13)18-20-11-14(17-19-7-9-22(17)2)16(21-18)15-6-4-10-24-15/h4,6-7,9-11,13H,3,5,8,12H2,1-2H3.
What are the key properties of 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine?
5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine has a molecular weight of 339.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 110220898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).