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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
CID 95801634
5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride
CID 171667170
5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 46951518
(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 95803035
1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol
CID 110220030
(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
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 25290844
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine
CID 130053500
(1S,9S)-5-[(3S)-3-methylpiperidin-1-yl]-12-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 98057828
4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine
CID 110237360

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).