3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

C15H24N6O2 — CID 72902403

IUPAC3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)Cc2cnc(N)nc2)C1
InChIInChI=1S/C15H24N6O2/c1-19(2)15(23)21-6-4-5-12(10-21)13(22)20(3)9-11-7-17-14(16)18-8-11/h7-8,12H,4-6,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyDBFNLXCWFGHECN-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.41
Rot. Bonds3

About 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (PubChem CID 72902403) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
PubChem CID72902403
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)Cc2cnc(N)nc2)C1
InChIInChI=1S/C15H24N6O2/c1-19(2)15(23)21-6-4-5-12(10-21)13(22)20(3)9-11-7-17-14(16)18-8-11/h7-8,12H,4-6,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyDBFNLXCWFGHECN-UHFFFAOYSA-N
XLogP0.41
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (CID 72902403) is 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)N(C)Cc2cnc(N)nc2)C1.
What is the InChIKey of 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The InChIKey is DBFNLXCWFGHECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-19(2)15(23)21-6-4-5-12(10-21)13(22)20(3)9-11-7-17-14(16)18-8-11/h7-8,12H,4-6,9-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide has a molecular weight of 320.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-aminopyrimidin-5-yl)methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 72902403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).