methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

C12H18N4O3 — CID 137007563

IUPACmethyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H18N4O3/c1-19-9(17)6-8-4-2-3-5-16(8)11-10(13)12(18)15-7-14-11/h7-8H,2-6,13H2,1H3,(H,14,15,18)
InChIKeyWREIZYPVWVIANA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.27
Rot. Bonds3

About methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 137007563) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID137007563
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H18N4O3/c1-19-9(17)6-8-4-2-3-5-16(8)11-10(13)12(18)15-7-14-11/h7-8H,2-6,13H2,1H3,(H,14,15,18)
InChIKeyWREIZYPVWVIANA-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (CID 137007563) is methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is WREIZYPVWVIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-9(17)6-8-4-2-3-5-16(8)11-10(13)12(18)15-7-14-11/h7-8H,2-6,13H2,1H3,(H,14,15,18).
What are the key properties of methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 266.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 137007563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).