ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate

C12H18N4O2 — CID 115612188

IUPACethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-12(17)9-3-5-16(6-4-9)11-7-10(13)14-8-15-11/h7-9H,2-6H2,1H3,(H2,13,14,15)
InChIKeyOPRLHXQASAIOGF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds3

About ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate

ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 115612188) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID115612188
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nameethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-12(17)9-3-5-16(6-4-9)11-7-10(13)14-8-15-11/h7-9H,2-6H2,1H3,(H2,13,14,15)
InChIKeyOPRLHXQASAIOGF-UHFFFAOYSA-N
XLogP0.84
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
ethyl 1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849604
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
ethyl 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126850161
ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
cis-ethyl (1R,3S)-3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 154755479
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide
CID 78930041

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate (CID 115612188) is ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(N)ncn2)CC1.
What is the InChIKey of ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is OPRLHXQASAIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-18-12(17)9-3-5-16(6-4-9)11-7-10(13)14-8-15-11/h7-9H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 115612188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).