ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate

C16H25N3O2 — CID 60651536

IUPACethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C)nc(C(C)C)n2)C1
InChIInChI=1S/C16H25N3O2/c1-5-21-16(20)13-7-6-8-19(10-13)14-9-12(4)17-15(18-14)11(2)3/h9,11,13H,5-8,10H2,1-4H3
InChIKeyPSRLXRAJCVCSGR-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.69
Rot. Bonds4

About ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate

ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 60651536) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID60651536
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C)nc(C(C)C)n2)C1
InChIInChI=1S/C16H25N3O2/c1-5-21-16(20)13-7-6-8-19(10-13)14-9-12(4)17-15(18-14)11(2)3/h9,11,13H,5-8,10H2,1-4H3
InChIKeyPSRLXRAJCVCSGR-UHFFFAOYSA-N
XLogP2.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849578
ethyl 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133359447
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate
CID 99636618
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate (CID 60651536) is ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cc(C)nc(C(C)C)n2)C1.
What is the InChIKey of ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is PSRLXRAJCVCSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-21-16(20)13-7-6-8-19(10-13)14-9-12(4)17-15(18-14)11(2)3/h9,11,13H,5-8,10H2,1-4H3.
What are the key properties of ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate?
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 60651536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).