ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate

C12H18N4O2 — CID 58869911

IUPACethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-11(17)9-3-5-16(6-4-9)12-14-7-10(13)8-15-12/h7-9H,2-6,13H2,1H3
InChIKeyJNIIQKJYBLQUKR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds3

About ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate

ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 58869911) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID58869911
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nameethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-11(17)9-3-5-16(6-4-9)12-14-7-10(13)8-15-12/h7-9H,2-6,13H2,1H3
InChIKeyJNIIQKJYBLQUKR-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

3,3-dimethyl-N~1~-(2-piperidino-5-pyrimidinyl)butanamide
CID 53164677
2-(tetrahydro-2H-pyran-4-yl)pyrimidin-5-amine
CID 62384450
3-Methyl-N-[2-(piperidin-1-YL)pyrimidin-5-YL]butanamide
CID 53164668
3-methyl-N-(2-morpholinopyrimidin-5-yl)butanamide
CID 53164798
1-[4-(dimethylamino)pyrimidin-5-yl]-N-propylpiperidine-4-carboxamide
CID 53165524
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 53165547
Ethyl 1-{1-[4-(dimethylamino)pyrimidin-5-YL]piperidine-4-carbonyl}piperidine-4-carboxylate
CID 53165567
N-(3-Methoxypropyl)-1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165697
Ethyl 1-{1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carbonyl}piperidine-4-carboxylate
CID 53165714
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester
CID 113286004
Ethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 135382866
Methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 162376349

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate (CID 58869911) is ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(N)cn2)CC1.
What is the InChIKey of ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is JNIIQKJYBLQUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-18-11(17)9-3-5-16(6-4-9)12-14-7-10(13)8-15-12/h7-9H,2-6,13H2,1H3.
What are the key properties of ethyl 1-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(5-aminopyrimidin-2-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-(5-aminopyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 58869911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).