methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate

C13H19N3O3 — CID 115538357

IUPACmethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cc(OC)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-12(15-9)18-2)16-7-5-4-6-10(16)13(17)19-3/h8,10H,4-7H2,1-3H3
InChIKeyDPJQTLGLQOXZAI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.33
Rot. Bonds3

About methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate

methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 115538357) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID115538357
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cc(OC)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-12(15-9)18-2)16-7-5-4-6-10(16)13(17)19-3/h8,10H,4-7H2,1-3H3
InChIKeyDPJQTLGLQOXZAI-UHFFFAOYSA-N
XLogP1.33
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 66333084
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
4-[2-(chloromethyl)piperidin-1-yl]-6-methoxy-2-methylpyrimidine
CID 66331673
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66333682
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 106742528
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 66333888
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
CID 115973724
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 110277695

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate (CID 115538357) is methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1cc(OC)nc(C)n1.
What is the InChIKey of methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is DPJQTLGLQOXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-14-11(8-12(15-9)18-2)16-7-5-4-6-10(16)13(17)19-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate?
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).