methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride

C11H17ClN4O2 — CID 3078702

IUPACmethyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N2CCCCC2)nc1N.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-17-10(16)8-7-13-11(14-9(8)12)15-5-3-2-4-6-15;/h7H,2-6H2,1H3,(H2,12,13,14);1H
InChIKeyTYQQYDJGELBONJ-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.26
Rot. Bonds2

About methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride

methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride (PubChem CID 3078702) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
PubChem CID3078702
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Namemethyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N2CCCCC2)nc1N.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-17-10(16)8-7-13-11(14-9(8)12)15-5-3-2-4-6-15;/h7H,2-6H2,1H3,(H2,12,13,14);1H
InChIKeyTYQQYDJGELBONJ-UHFFFAOYSA-N
XLogP1.26
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride (CID 3078702) is methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride is COC(=O)c1cnc(N2CCCCC2)nc1N.Cl.
What is the InChIKey of methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride?
The InChIKey is TYQQYDJGELBONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.ClH/c1-17-10(16)8-7-13-11(14-9(8)12)15-5-3-2-4-6-15;/h7H,2-6H2,1H3,(H2,12,13,14);1H.
What are the key properties of methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride?
methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride is sourced from PubChem (CID 3078702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).