3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide

C13H23N7O — CID 106918444

IUPAC3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H23N7O/c1-15-10(21)6-9-19(2)12-16-11(14)17-13(18-12)20-7-4-3-5-8-20/h3-9H2,1-2H3,(H,15,21)(H2,14,16,17,18)
InChIKeyUEJFSPBLIMQCDU-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.02
Rot. Bonds5

About 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide

3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide (PubChem CID 106918444) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide
PubChem CID106918444
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H23N7O/c1-15-10(21)6-9-19(2)12-16-11(14)17-13(18-12)20-7-4-3-5-8-20/h3-9H2,1-2H3,(H,15,21)(H2,14,16,17,18)
InChIKeyUEJFSPBLIMQCDU-UHFFFAOYSA-N
XLogP0.02
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide (CID 106918444) is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide?
The InChIKey is UEJFSPBLIMQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-15-10(21)6-9-19(2)12-16-11(14)17-13(18-12)20-7-4-3-5-8-20/h3-9H2,1-2H3,(H,15,21)(H2,14,16,17,18).
What are the key properties of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide?
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide has a molecular weight of 293.38 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).