ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate

C12H18N4O3 — CID 135646540

IUPACethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(N)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-19-11(18)8-3-5-16(6-4-8)12-14-9(13)7-10(17)15-12/h7-8H,2-6H2,1H3,(H3,13,14,15,17)
InChIKeyFJMNQPNVUFCYDK-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.13
Rot. Bonds3

About ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate

ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 135646540) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID135646540
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(N)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-19-11(18)8-3-5-16(6-4-8)12-14-9(13)7-10(17)15-12/h7-8H,2-6H2,1H3,(H3,13,14,15,17)
InChIKeyFJMNQPNVUFCYDK-UHFFFAOYSA-N
XLogP0.13
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (CID 135646540) is ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(N)cc(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is FJMNQPNVUFCYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-11(18)8-3-5-16(6-4-8)12-14-9(13)7-10(17)15-12/h7-8H,2-6H2,1H3,(H3,13,14,15,17).
What are the key properties of ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 135646540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).