[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone

C25H31N7O — CID 57394870

IUPAC[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H31N7O/c1-16-14-17(2)21(18(3)15-16)28-25-30-23(26-4)29-24(31-25)27-20-10-12-32(13-11-20)22(33)19-8-6-5-7-9-19/h5-9,14-15,20H,10-13H2,1-4H3,(H3,26,27,28,29,30,31)
InChIKeyCQFKLQUZXGLPDN-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.30
Rot. Bonds6

About [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone

[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 57394870) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID57394870
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESCNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H31N7O/c1-16-14-17(2)21(18(3)15-16)28-25-30-23(26-4)29-24(31-25)27-20-10-12-32(13-11-20)22(33)19-8-6-5-7-9-19/h5-9,14-15,20H,10-13H2,1-4H3,(H3,26,27,28,29,30,31)
InChIKeyCQFKLQUZXGLPDN-UHFFFAOYSA-N
XLogP4.30
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
1-(1-benzoylpiperidin-4-yl)-3-(2,4-dimethylphenyl)thiourea
CID 92519823
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
1-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326719
1-(1-benzoylpiperidin-4-yl)-3-(2,5-dimethylphenyl)thiourea
CID 94472172
4-(2,4,6-trimethylanilino)piperidine-1-carboxylate
CID 23109910
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
CID 87053000
[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 121496815
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone (CID 57394870) is [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone is CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is CQFKLQUZXGLPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-16-14-17(2)21(18(3)15-16)28-25-30-23(26-4)29-24(31-25)27-20-10-12-32(13-11-20)22(33)19-8-6-5-7-9-19/h5-9,14-15,20H,10-13H2,1-4H3,(H3,26,27,28,29,30,31).
What are the key properties of [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 445.57 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 57394870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).