ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate

C14H22N4O2 — CID 80657136

IUPACethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)11-4-6-18(7-5-11)9-13-16-10(2)8-12(15)17-13/h8,11H,3-7,9H2,1-2H3,(H2,15,16,17)
InChIKeyXTEWLCYVTFHYLQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds4

About ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 80657136) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
PubChem CID80657136
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)11-4-6-18(7-5-11)9-13-16-10(2)8-12(15)17-13/h8,11H,3-7,9H2,1-2H3,(H2,15,16,17)
InChIKeyXTEWLCYVTFHYLQ-UHFFFAOYSA-N
XLogP1.14
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62892331
methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80663871
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine
CID 114237944
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
CID 66155315
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate (CID 80657136) is ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2nc(C)cc(N)n2)CC1.
What is the InChIKey of ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is XTEWLCYVTFHYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-20-14(19)11-4-6-18(7-5-11)9-13-16-10(2)8-12(15)17-13/h8,11H,3-7,9H2,1-2H3,(H2,15,16,17).
What are the key properties of ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 80657136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).