3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol

C12H24N6O — CID 62022778

About 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol (PubChem CID 62022778) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol
• PubChem CID: 62022778
• Molecular Formula: C12H24N6O
• Molecular Weight: 268.36 g/mol
• Exact Mass: 268.20
• IUPAC Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol
• SMILES: CC(C)N(CCCO)Cc1nc(N)nc(N(C)C)n1
• InChI: InChI=1S/C12H24N6O/c1-9(2)18(6-5-7-19)8-10-14-11(13)16-12(15-10)17(3)4/h9,19H,5-8H2,1-4H3,(H2,13,14,15,16)
• InChIKey: NHZWSBFQTCAVMW-UHFFFAOYSA-N
• XLogP: 0.11
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.36
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol?

The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol (CID 62022778) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol.

What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol?

The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)Cc1nc(N)nc(N(C)C)n1.

What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol?

The InChIKey is NHZWSBFQTCAVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-9(2)18(6-5-7-19)8-10-14-11(13)16-12(15-10)17(3)4/h9,19H,5-8H2,1-4H3,(H2,13,14,15,16).

What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol?

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62022778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).