N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C15H20N6 — CID 141350801

IUPACN-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2ncnc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C15H20N6/c1-12-4-3-5-13(10-12)18-14-16-11-17-15(19-14)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9H2,1-2H3,(H,16,17,18,19)
InChIKeyZJUWRJNWMRQBMY-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.68
Rot. Bonds3

About N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 141350801) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID141350801
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2ncnc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C15H20N6/c1-12-4-3-5-13(10-12)18-14-16-11-17-15(19-14)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9H2,1-2H3,(H,16,17,18,19)
InChIKeyZJUWRJNWMRQBMY-UHFFFAOYSA-N
XLogP1.68
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 141350791
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
CID 172643636
4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
N-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45139121
N-[3-[[4-[4-(3-hydroxypropyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68567236
4-N-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 3311464
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[(dimethylamino)methyl]phenyl]-1,3,5-triazin-2-amine
CID 118031494
N-[3-[[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68522714
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(3-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 667134
5-chloro-4-N-(3-methylphenyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665859

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 141350801) is N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is Cc1cccc(Nc2ncnc(N3CCN(C)CC3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZJUWRJNWMRQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-12-4-3-5-13(10-12)18-14-16-11-17-15(19-14)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 141350801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).