methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate

C13H20N4O2 — CID 66286109

IUPACmethyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N2CCCC(CN)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(16-12(15-9)13(18)19-2)17-5-3-4-10(7-14)8-17/h6,10H,3-5,7-8,14H2,1-2H3
InChIKeyYVDKZMNIAPJYPS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.75
Rot. Bonds3

About methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate

methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate (PubChem CID 66286109) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
PubChem CID66286109
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N2CCCC(CN)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(16-12(15-9)13(18)19-2)17-5-3-4-10(7-14)8-17/h6,10H,3-5,7-8,14H2,1-2H3
InChIKeyYVDKZMNIAPJYPS-UHFFFAOYSA-N
XLogP0.75
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate (CID 66286109) is methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(N2CCCC(CN)C2)n1.
What is the InChIKey of methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
The InChIKey is YVDKZMNIAPJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-11(16-12(15-9)13(18)19-2)17-5-3-4-10(7-14)8-17/h6,10H,3-5,7-8,14H2,1-2H3.
What are the key properties of methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).