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

C15H23N3O3 — CID 115973724

IUPACmethyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-13-9-11(3)16-15(17-13)18-8-6-5-7-12(18)14(19)20-4/h9-10,12H,5-8H2,1-4H3
InChIKeyXDTUDXPVYPIADA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds4

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

methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate (PubChem CID 115973724) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
PubChem CID115973724
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-13-9-11(3)16-15(17-13)18-8-6-5-7-12(18)14(19)20-4/h9-10,12H,5-8H2,1-4H3
InChIKeyXDTUDXPVYPIADA-UHFFFAOYSA-N
XLogP2.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
CID 115973681
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine
CID 115973852
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 1-quinazolin-2-ylpiperidine-2-carboxylate
CID 114789710
ethyl 1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidine-2-carboxylate
CID 107546692
cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129491924
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 112635446

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate (CID 115973724) is methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nc(C)cc(OC(C)C)n1.
What is the InChIKey of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate?
The InChIKey is XDTUDXPVYPIADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)21-13-9-11(3)16-15(17-13)18-8-6-5-7-12(18)14(19)20-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate?
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115973724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).