N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H18ClN5S — CID 80904873

IUPACN-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H18ClN5S/c1-9(10-6-4-5-7-11(10)15)20(2)13-8-12(19-16)17-14(18-13)21-3/h4-9H,16H2,1-3H3,(H,17,18,19)
InChIKeyNJWQKPUWLPVWFG-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine

N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80904873) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80904873
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H18ClN5S/c1-9(10-6-4-5-7-11(10)15)20(2)13-8-12(19-16)17-14(18-13)21-3/h4-9H,16H2,1-3H3,(H,17,18,19)
InChIKeyNJWQKPUWLPVWFG-UHFFFAOYSA-N
XLogP3.33
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80904873) is N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(N(C)C(C)c2ccccc2Cl)n1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is NJWQKPUWLPVWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-9(10-6-4-5-7-11(10)15)20(2)13-8-12(19-16)17-14(18-13)21-3/h4-9H,16H2,1-3H3,(H,17,18,19).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 323.85 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80904873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).