2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine

C15H19N3S — CID 127244795

IUPAC2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
SMILESCc1nccc(C2CCCCN2Cc2cccs2)n1
InChIInChI=1S/C15H19N3S/c1-12-16-8-7-14(17-12)15-6-2-3-9-18(15)11-13-5-4-10-19-13/h4-5,7-8,10,15H,2-3,6,9,11H2,1H3
InChIKeyGAECQUOEVIAMTA-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.57
Rot. Bonds3

About 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine

2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine (PubChem CID 127244795) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
PubChem CID127244795
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
SMILESCc1nccc(C2CCCCN2Cc2cccs2)n1
InChIInChI=1S/C15H19N3S/c1-12-16-8-7-14(17-12)15-6-2-3-9-18(15)11-13-5-4-10-19-13/h4-5,7-8,10,15H,2-3,6,9,11H2,1H3
InChIKeyGAECQUOEVIAMTA-UHFFFAOYSA-N
XLogP3.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124966086
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815698
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
2-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110269173
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-2-methylpyrimidine
CID 110103816
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118311
2-[5-[[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
CID 110097069
3,5-dimethyl-4-[4-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine (CID 127244795) is 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine is Cc1nccc(C2CCCCN2Cc2cccs2)n1.
What is the InChIKey of 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine?
The InChIKey is GAECQUOEVIAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-16-8-7-14(17-12)15-6-2-3-9-18(15)11-13-5-4-10-19-13/h4-5,7-8,10,15H,2-3,6,9,11H2,1H3.
What are the key properties of 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine?
2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine has a molecular weight of 273.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine is sourced from PubChem (CID 127244795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).