2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide

C11H20N8O — CID 60801418

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1nc(N)nc(N)n1)C1CCNCC1
InChIInChI=1S/C11H20N8O/c12-8(20)5-19(7-1-3-15-4-2-7)6-9-16-10(13)18-11(14)17-9/h7,15H,1-6H2,(H2,12,20)(H4,13,14,16,17,18)
InChIKeyYGVQKCVLGBELGK-UHFFFAOYSA-N
MW280.34 g/mol
LogP-1.92
Rot. Bonds5

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide (PubChem CID 60801418) has the molecular formula C11H20N8O and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide
PubChem CID60801418
Molecular FormulaC11H20N8O
Molecular Weight280.34 g/mol
Exact Mass280.18
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1nc(N)nc(N)n1)C1CCNCC1
InChIInChI=1S/C11H20N8O/c12-8(20)5-19(7-1-3-15-4-2-7)6-9-16-10(13)18-11(14)17-9/h7,15H,1-6H2,(H2,12,20)(H4,13,14,16,17,18)
InChIKeyYGVQKCVLGBELGK-UHFFFAOYSA-N
XLogP-1.92
TPSA149.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide (CID 60801418) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide is NC(=O)CN(Cc1nc(N)nc(N)n1)C1CCNCC1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide?
The InChIKey is YGVQKCVLGBELGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N8O/c12-8(20)5-19(7-1-3-15-4-2-7)6-9-16-10(13)18-11(14)17-9/h7,15H,1-6H2,(H2,12,20)(H4,13,14,16,17,18).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide has a molecular weight of 280.34 g/mol, XLogP of -1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 60801418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).