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

C25H31N7O — CID 42477791

IUPACN-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1C
InChIInChI=1S/C25H31N7O/c1-19-8-9-21(18-20(19)2)26-23-27-24(29-25(28-23)32-14-16-33-17-15-32)31-12-10-30(11-13-31)22-6-4-3-5-7-22/h3-9,18H,10-17H2,1-2H3,(H,26,27,28,29)
InChIKeyNJUFDTOYCHFMSY-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.40
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 42477791) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID42477791
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC NameN-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1C
InChIInChI=1S/C25H31N7O/c1-19-8-9-21(18-20(19)2)26-23-27-24(29-25(28-23)32-14-16-33-17-15-32)31-12-10-30(11-13-31)22-6-4-3-5-7-22/h3-9,18H,10-17H2,1-2H3,(H,26,27,28,29)
InChIKeyNJUFDTOYCHFMSY-UHFFFAOYSA-N
XLogP3.40
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298
4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine
CID 42477763
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(3,4-dimethylphenyl)diazenyl]phenol
CID 137059671
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 42477791) is N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is NJUFDTOYCHFMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-19-8-9-21(18-20(19)2)26-23-27-24(29-25(28-23)32-14-16-33-17-15-32)31-12-10-30(11-13-31)22-6-4-3-5-7-22/h3-9,18H,10-17H2,1-2H3,(H,26,27,28,29).
What are the key properties of N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine?
N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 445.57 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 42477791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).