4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine

C13H21ClN6O — CID 62868686

IUPAC4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCN1CCCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H21ClN6O/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
InChIKeyCDAZVZABFNJTKJ-UHFFFAOYSA-N
MW312.81 g/mol
LogP0.50
Rot. Bonds2

About 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 62868686) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID62868686
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCN1CCCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H21ClN6O/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
InChIKeyCDAZVZABFNJTKJ-UHFFFAOYSA-N
XLogP0.50
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80750111
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62869868
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 103536614
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
4-(4-chloro-6-propan-2-ylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62865622
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025
4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62866324
1-(4-fluorophenyl)-3-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 66585746

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine (CID 62868686) is 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine is CN1CCCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is CDAZVZABFNJTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O/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.
What are the key properties of 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 312.81 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62868686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).