N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C27H27N9O3 — CID 11763127

IUPACN-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccc(NC(C)=O)cc3)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C27H27N9O3/c1-16(37)28-19-4-10-22(11-5-19)31-25-34-26(32-23-12-6-20(7-13-23)29-17(2)38)36-27(35-25)33-24-14-8-21(9-15-24)30-18(3)39/h4-15H,1-3H3,(H,28,37)(H,29,38)(H,30,39)(H3,31,32,33,34,35,36)
InChIKeyGUJWOWXHPUDHTQ-UHFFFAOYSA-N
MW525.57 g/mol
LogP4.98
Rot. Bonds9

About N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 11763127) has the molecular formula C27H27N9O3 and a molecular weight of 525.57 g/mol. Its IUPAC name is N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID11763127
Molecular FormulaC27H27N9O3
Molecular Weight525.57 g/mol
Exact Mass525.22
IUPAC NameN-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccc(NC(C)=O)cc3)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C27H27N9O3/c1-16(37)28-19-4-10-22(11-5-19)31-25-34-26(32-23-12-6-20(7-13-23)29-17(2)38)36-27(35-25)33-24-14-8-21(9-15-24)30-18(3)39/h4-15H,1-3H3,(H,28,37)(H,29,38)(H,30,39)(H3,31,32,33,34,35,36)
InChIKeyGUJWOWXHPUDHTQ-UHFFFAOYSA-N
XLogP4.98
TPSA162.06 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 54.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166358351
N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962206
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 11763127) is N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(Nc3ccc(NC(C)=O)cc3)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is GUJWOWXHPUDHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O3/c1-16(37)28-19-4-10-22(11-5-19)31-25-34-26(32-23-12-6-20(7-13-23)29-17(2)38)36-27(35-25)33-24-14-8-21(9-15-24)30-18(3)39/h4-15H,1-3H3,(H,28,37)(H,29,38)(H,30,39)(H3,31,32,33,34,35,36).
What are the key properties of N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 525.57 g/mol, XLogP of 4.98, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 11763127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).