4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol

C13H23N5O3 — CID 81134636

About 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol

4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (PubChem CID 81134636) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.

Molecular Properties

• Compound Name: 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
• PubChem CID: 81134636
• Molecular Formula: C13H23N5O3
• Molecular Weight: 297.36 g/mol
• Exact Mass: 297.18
• IUPAC Name: 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
• SMILES: CNc1nc(NCC2(O)CCOCC2)nc(OC(C)C)n1
• InChI: InChI=1S/C13H23N5O3/c1-9(2)21-12-17-10(14-3)16-11(18-12)15-8-13(19)4-6-20-7-5-13/h9,19H,4-8H2,1-3H3,(H2,14,15,16,17,18)
• InChIKey: YZXJMNCIYXNVQM-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 101.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.36
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (CID 81134636) is 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.

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

The canonical SMILES for 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is CNc1nc(NCC2(O)CCOCC2)nc(OC(C)C)n1.

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

The InChIKey is YZXJMNCIYXNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-9(2)21-12-17-10(14-3)16-11(18-12)15-8-13(19)4-6-20-7-5-13/h9,19H,4-8H2,1-3H3,(H2,14,15,16,17,18).

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

4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol has a molecular weight of 297.36 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81134636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).