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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Related Compounds

1-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid ethyl ester
CID 136741357
Ethyl 1-(1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxylate
CID 22421352
ethyl 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
CID 135122683
ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
CID 164998005
ethyl 1-(N'-methyl-N-prop-2-enylcarbamimidoyl)piperidine-4-carboxylate
CID 111155592
ethyl 1-(N-ethyl-N'-prop-2-enylcarbamimidoyl)piperidine-4-carboxylate
CID 111156513
1-(4-Amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxamide
CID 135646539
Ethyl 1-(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-3-carboxylate
CID 135646541
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
CID 135708180
ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate
CID 135895049
ethyl (3S)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate
CID 135895050
Ethyl 1-(4-hydroxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 135935331

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).