4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H23N7O — CID 80750111

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN1CCCN(c2nc(N)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H23N7O/c1-18-3-2-4-19(6-5-18)12-15-11(14)16-13(17-12)20-7-9-21-10-8-20/h2-10H2,1H3,(H2,14,15,16,17)
InChIKeyBJMVMRPZEKUKJX-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.57
Rot. Bonds2

About 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80750111) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80750111
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN1CCCN(c2nc(N)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H23N7O/c1-18-3-2-4-19(6-5-18)12-15-11(14)16-13(17-12)20-7-9-21-10-8-20/h2-10H2,1H3,(H2,14,15,16,17)
InChIKeyBJMVMRPZEKUKJX-UHFFFAOYSA-N
XLogP-0.57
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80750111) is 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CN1CCCN(c2nc(N)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is BJMVMRPZEKUKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-18-3-2-4-19(6-5-18)12-15-11(14)16-13(17-12)20-7-9-21-10-8-20/h2-10H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 293.38 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80750111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).