ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate

C12H18N4O3 — CID 135895049

IUPACethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C12H18N4O3/c1-2-19-11(18)8-4-3-5-16(7-8)12-14-9(13)6-10(17)15-12/h6,8H,2-5,7H2,1H3,(H3,13,14,15,17)/t8-/m1/s1
InChIKeyRPXHPBJUIRYGOT-MRVPVSSYSA-N
MW266.30 g/mol
LogP0.13
Rot. Bonds3

About ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate

ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate (PubChem CID 135895049) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate
PubChem CID135895049
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C12H18N4O3/c1-2-19-11(18)8-4-3-5-16(7-8)12-14-9(13)6-10(17)15-12/h6,8H,2-5,7H2,1H3,(H3,13,14,15,17)/t8-/m1/s1
InChIKeyRPXHPBJUIRYGOT-MRVPVSSYSA-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

Analyze ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate (CID 135895049) is ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(c2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate?
The InChIKey is RPXHPBJUIRYGOT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-11(18)8-4-3-5-16(7-8)12-14-9(13)6-10(17)15-12/h6,8H,2-5,7H2,1H3,(H3,13,14,15,17)/t8-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate?
ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-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 (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 135895049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).