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

C16H20N4 — CID 95839903

IUPAC2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
SMILESCc1nccc([C@H]2CCCCN2Cc2ccccn2)n1
InChIInChI=1S/C16H20N4/c1-13-17-10-8-15(19-13)16-7-3-5-11-20(16)12-14-6-2-4-9-18-14/h2,4,6,8-10,16H,3,5,7,11-12H2,1H3/t16-/m1/s1
InChIKeyLMIPNPSVTUXCOG-MRXNPFEDSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds3

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

2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine (PubChem CID 95839903) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
PubChem CID95839903
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
SMILESCc1nccc([C@H]2CCCCN2Cc2ccccn2)n1
InChIInChI=1S/C16H20N4/c1-13-17-10-8-15(19-13)16-7-3-5-11-20(16)12-14-6-2-4-9-18-14/h2,4,6,8-10,16H,3,5,7,11-12H2,1H3/t16-/m1/s1
InChIKeyLMIPNPSVTUXCOG-MRXNPFEDSA-N
XLogP2.91
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244795
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95837242
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
2-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110269173
2-[(2-methylphenyl)methyl]-5-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyridine
CID 124960780
7-methyl-2-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 124751830
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine (CID 95839903) is 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine is Cc1nccc([C@H]2CCCCN2Cc2ccccn2)n1.
What is the InChIKey of 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine?
The InChIKey is LMIPNPSVTUXCOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-17-10-8-15(19-13)16-7-3-5-11-20(16)12-14-6-2-4-9-18-14/h2,4,6,8-10,16H,3,5,7,11-12H2,1H3/t16-/m1/s1.
What are the key properties of 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine?
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine is sourced from PubChem (CID 95839903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).