2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide

C11H20N6O2 — CID 80804764

IUPAC2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nc(N)nc(OC)n1
InChIInChI=1S/C11H20N6O2/c1-5-17(6-8(18)13-7(2)3)10-14-9(12)15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,13,18)(H2,12,14,15,16)
InChIKeyQRMLXQKWHPLZIN-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.19
Rot. Bonds6

About 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide

2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 80804764) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID80804764
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nc(N)nc(OC)n1
InChIInChI=1S/C11H20N6O2/c1-5-17(6-8(18)13-7(2)3)10-14-9(12)15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,13,18)(H2,12,14,15,16)
InChIKeyQRMLXQKWHPLZIN-UHFFFAOYSA-N
XLogP-0.19
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.19
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-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide (CID 80804764) is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1nc(N)nc(OC)n1.
What is the InChIKey of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is QRMLXQKWHPLZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-5-17(6-8(18)13-7(2)3)10-14-9(12)15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,13,18)(H2,12,14,15,16).
What are the key properties of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 268.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80804764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).