2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine

C24H32N6O2 — CID 171851276

IUPAC2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H32N6O2/c1-4-32-21-11-7-19(8-12-21)26-23-27-22(25)28-24(29-13-15-31-16-14-29)30(23)20-9-5-18(6-10-20)17(2)3/h5-12,17,23,26H,4,13-16H2,1-3H3,(H2,25,27)
InChIKeyWJVXDJDFZZUFJR-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.43
Rot. Bonds6

About 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine

2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851276) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851276
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H32N6O2/c1-4-32-21-11-7-19(8-12-21)26-23-27-22(25)28-24(29-13-15-31-16-14-29)30(23)20-9-5-18(6-10-20)17(2)3/h5-12,17,23,26H,4,13-16H2,1-3H3,(H2,25,27)
InChIKeyWJVXDJDFZZUFJR-UHFFFAOYSA-N
XLogP3.43
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851167
2-N-(4-ethoxyphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171850981
2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851202
2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851201
2-N-(4-ethoxyphenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851212
2-N-(3-chlorophenyl)-1-(4-ethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851200
2-N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-1-phenyl-2H-1,3,5-triazine-2,4-diamine
CID 171851398
2-N-(5-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851338
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-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851086
2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851474
2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851150

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine (CID 171851276) is 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine is CCOc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is WJVXDJDFZZUFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-32-21-11-7-19(8-12-21)26-23-27-22(25)28-24(29-13-15-31-16-14-29)30(23)20-9-5-18(6-10-20)17(2)3/h5-12,17,23,26H,4,13-16H2,1-3H3,(H2,25,27).
What are the key properties of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine?
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 436.56 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).