2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide

C12H23N7O — CID 80805910

IUPAC2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
SMILESCCN(CC)c1nc(N)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C12H23N7O/c1-5-18(6-2)11-15-10(14)16-12(17-11)19(8(3)4)7-9(13)20/h8H,5-7H2,1-4H3,(H2,13,20)(H2,14,15,16,17)
InChIKeyDELFZXWKYYUMSX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.00
Rot. Bonds7

About 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide

2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide (PubChem CID 80805910) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
PubChem CID80805910
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
SMILESCCN(CC)c1nc(N)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C12H23N7O/c1-5-18(6-2)11-15-10(14)16-12(17-11)19(8(3)4)7-9(13)20/h8H,5-7H2,1-4H3,(H2,13,20)(H2,14,15,16,17)
InChIKeyDELFZXWKYYUMSX-UHFFFAOYSA-N
XLogP0.00
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide (CID 80805910) is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide is CCN(CC)c1nc(N)nc(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The InChIKey is DELFZXWKYYUMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-5-18(6-2)11-15-10(14)16-12(17-11)19(8(3)4)7-9(13)20/h8H,5-7H2,1-4H3,(H2,13,20)(H2,14,15,16,17).
What are the key properties of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80805910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).