2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine

C21H25FN6O — CID 171851420

IUPAC2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(F)c2)cc1C
InChIInChI=1S/C21H25FN6O/c1-14-6-7-17(12-15(14)2)24-20-25-19(23)26-21(27-8-10-29-11-9-27)28(20)18-5-3-4-16(22)13-18/h3-7,12-13,20,24H,8-11H2,1-2H3,(H2,23,25)
InChIKeyLDZZSEPCQVELQQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.66
Rot. Bonds3

About 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine

2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851420) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851420
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(F)c2)cc1C
InChIInChI=1S/C21H25FN6O/c1-14-6-7-17(12-15(14)2)24-20-25-19(23)26-21(27-8-10-29-11-9-27)28(20)18-5-3-4-16(22)13-18/h3-7,12-13,20,24H,8-11H2,1-2H3,(H2,23,25)
InChIKeyLDZZSEPCQVELQQ-UHFFFAOYSA-N
XLogP2.66
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851086
2-N-(3-fluorophenyl)-1-(4-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851288
2-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851480
2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851474
2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851207
2-N-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851498
2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851173
2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851204
2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851275
2-N-(3-fluorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851210
2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851492
2-N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851446

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851420) is 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is Cc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(F)c2)cc1C.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is LDZZSEPCQVELQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-14-6-7-17(12-15(14)2)24-20-25-19(23)26-21(27-8-10-29-11-9-27)28(20)18-5-3-4-16(22)13-18/h3-7,12-13,20,24H,8-11H2,1-2H3,(H2,23,25).
What are the key properties of 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 396.47 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).