methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate

C17H26N4O2 — CID 75443190

IUPACmethyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1c(N2CCCCC2)ncnc1N1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-23-15(22)12-14-16(20-8-4-2-5-9-20)18-13-19-17(14)21-10-6-3-7-11-21/h13H,2-12H2,1H3
InChIKeyXUQNWJRDPWSKIW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.17
Rot. Bonds4

About methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate

methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate (PubChem CID 75443190) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate
PubChem CID75443190
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Namemethyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1c(N2CCCCC2)ncnc1N1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-23-15(22)12-14-16(20-8-4-2-5-9-20)18-13-19-17(14)21-10-6-3-7-11-21/h13H,2-12H2,1H3
InChIKeyXUQNWJRDPWSKIW-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate (CID 75443190) is methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate is COC(=O)Cc1c(N2CCCCC2)ncnc1N1CCCCC1.
What is the InChIKey of methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate?
The InChIKey is XUQNWJRDPWSKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-23-15(22)12-14-16(20-8-4-2-5-9-20)18-13-19-17(14)21-10-6-3-7-11-21/h13H,2-12H2,1H3.
What are the key properties of methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate?
methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate has a molecular weight of 318.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate is sourced from PubChem (CID 75443190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).