methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate

C11H15ClN4O2 — CID 113372234

IUPACmethyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c1-18-11(17)7-2-4-16(5-3-7)10-8(12)9(13)14-6-15-10/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyJXNWOMZVEWBKRY-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.10
Rot. Bonds2

About methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 113372234) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID113372234
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Namemethyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c1-18-11(17)7-2-4-16(5-3-7)10-8(12)9(13)14-6-15-10/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyJXNWOMZVEWBKRY-UHFFFAOYSA-N
XLogP1.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate (CID 113372234) is methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ncnc(N)c2Cl)CC1.
What is the InChIKey of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is JXNWOMZVEWBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-18-11(17)7-2-4-16(5-3-7)10-8(12)9(13)14-6-15-10/h6-7H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 270.72 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 113372234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).