N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

C13H15Cl2N5 — CID 80969189

IUPACN-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H15Cl2N5/c1-7(2)13-18-10(6-11(19-13)20-16)17-12-8(14)4-3-5-9(12)15/h3-7H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyCZTMGZPCLLNTOX-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.94
Rot. Bonds4

About N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80969189) has the molecular formula C13H15Cl2N5 and a molecular weight of 312.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80969189
Molecular FormulaC13H15Cl2N5
Molecular Weight312.20 g/mol
Exact Mass311.07
IUPAC NameN-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H15Cl2N5/c1-7(2)13-18-10(6-11(19-13)20-16)17-12-8(14)4-3-5-9(12)15/h3-7H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyCZTMGZPCLLNTOX-UHFFFAOYSA-N
XLogP3.94
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,6-dichlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959350
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968585
6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969003
[6-[(2-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 103291599
[6-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
1-N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 80962948
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964990
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 80969189) is N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(NN)cc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CZTMGZPCLLNTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5/c1-7(2)13-18-10(6-11(19-13)20-16)17-12-8(14)4-3-5-9(12)15/h3-7H,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80969189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).