methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate

C15H23N3O2 — CID 115538367

IUPACmethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-10(2)14-16-11(3)9-13(17-14)18-8-6-5-7-12(18)15(19)20-4/h9-10,12H,5-8H2,1-4H3
InChIKeyTVIOAGREXRIFDN-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.44
Rot. Bonds3

About methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate

methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 115538367) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID115538367
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-10(2)14-16-11(3)9-13(17-14)18-8-6-5-7-12(18)15(19)20-4/h9-10,12H,5-8H2,1-4H3
InChIKeyTVIOAGREXRIFDN-UHFFFAOYSA-N
XLogP2.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
CID 115973724
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80964808
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422241
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
CID 84585847
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate (CID 115538367) is methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1cc(C)nc(C(C)C)n1.
What is the InChIKey of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is TVIOAGREXRIFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)14-16-11(3)9-13(17-14)18-8-6-5-7-12(18)15(19)20-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate?
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).