4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C15H18ClN5O — CID 3732346

IUPAC4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(C)c(Nc2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H18ClN5O/c1-10-3-4-11(2)12(9-10)17-14-18-13(16)19-15(20-14)21-5-7-22-8-6-21/h3-4,9H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyYQYNJWITZMSBLV-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.72
Rot. Bonds3

About 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3732346) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3732346
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(C)c(Nc2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H18ClN5O/c1-10-3-4-11(2)12(9-10)17-14-18-13(16)19-15(20-14)21-5-7-22-8-6-21/h3-4,9H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyYQYNJWITZMSBLV-UHFFFAOYSA-N
XLogP2.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 20994610
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
2-bromo-4-chloro-6-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3095433
2-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3098991
N-(2,5-dimethylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298428
8-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-methylnaphthalene-1-sulfonic acid
CID 88871968
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 3732346) is 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccc(C)c(Nc2nc(Cl)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is YQYNJWITZMSBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-10-3-4-11(2)12(9-10)17-14-18-13(16)19-15(20-14)21-5-7-22-8-6-21/h3-4,9H,5-8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 319.80 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3732346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).