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

C14H16ClN5O — CID 748919

IUPAC4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16ClN5O/c1-10-4-2-3-5-11(10)16-13-17-12(15)18-14(19-13)20-6-8-21-9-7-20/h2-5H,6-9H2,1H3,(H,16,17,18,19)
InChIKeyUWHPSYIFZVGPCX-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.41
Rot. Bonds3

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

4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 748919) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID748919
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16ClN5O/c1-10-4-2-3-5-11(10)16-13-17-12(15)18-14(19-13)20-6-8-21-9-7-20/h2-5H,6-9H2,1H3,(H,16,17,18,19)
InChIKeyUWHPSYIFZVGPCX-UHFFFAOYSA-N
XLogP2.41
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3732346
N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589315
2-N,4-N-bis(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955710
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
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
2-N,4-N-bis(2-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955718
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 748919) is 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccccc1Nc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is UWHPSYIFZVGPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-10-4-2-3-5-11(10)16-13-17-12(15)18-14(19-13)20-6-8-21-9-7-20/h2-5H,6-9H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 305.77 g/mol, XLogP of 2.41, 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-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 748919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).