5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine

C24H21Cl3N8 — CID 162345185

IUPAC5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(/N=N/c3cc(Cl)c(Nc4nc(C)c(Cl)c(C)n4)c(Cl)c3)cc2)n1
InChIInChI=1S/C24H21Cl3N8/c1-12-9-13(2)29-23(28-12)32-16-5-7-17(8-6-16)34-35-18-10-19(25)22(20(26)11-18)33-24-30-14(3)21(27)15(4)31-24/h5-11H,1-4H3,(H,28,29,32)(H,30,31,33)/b35-34+
InChIKeyHROFYCZGFOWIAB-XAHDOWKMSA-N
MW527.85 g/mol
LogP8.36
Rot. Bonds6

About 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine

5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 162345185) has the molecular formula C24H21Cl3N8 and a molecular weight of 527.85 g/mol. Its IUPAC name is 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID162345185
Molecular FormulaC24H21Cl3N8
Molecular Weight527.85 g/mol
Exact Mass526.10
IUPAC Name5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(/N=N/c3cc(Cl)c(Nc4nc(C)c(Cl)c(C)n4)c(Cl)c3)cc2)n1
InChIInChI=1S/C24H21Cl3N8/c1-12-9-13(2)29-23(28-12)32-16-5-7-17(8-6-16)34-35-18-10-19(25)22(20(26)11-18)33-24-30-14(3)21(27)15(4)31-24/h5-11H,1-4H3,(H,28,29,32)(H,30,31,33)/b35-34+
InChIKeyHROFYCZGFOWIAB-XAHDOWKMSA-N
XLogP8.36
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.85
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 102307503
1-(diaminomethylidene)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]guanidine
CID 168602108
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide
CID 168650971
2-N-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 53437451
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 89037912
N-(4-chlorophenyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 14327548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine (CID 162345185) is 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2ccc(/N=N/c3cc(Cl)c(Nc4nc(C)c(Cl)c(C)n4)c(Cl)c3)cc2)n1.
What is the InChIKey of 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is HROFYCZGFOWIAB-XAHDOWKMSA-N. The full InChI is InChI=1S/C24H21Cl3N8/c1-12-9-13(2)29-23(28-12)32-16-5-7-17(8-6-16)34-35-18-10-19(25)22(20(26)11-18)33-24-30-14(3)21(27)15(4)31-24/h5-11H,1-4H3,(H,28,29,32)(H,30,31,33)/b35-34+.
What are the key properties of 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine?
5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 527.85 g/mol, XLogP of 8.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 162345185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).