N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine

C15H20ClN5 — CID 80994334

IUPACN-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H20ClN5/c1-3-13-19-14(10(2)15(20-13)21-17)18-9-8-11-4-6-12(16)7-5-11/h4-7H,3,8-9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyADVUSBKVPYGHJW-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80994334) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80994334
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H20ClN5/c1-3-13-19-14(10(2)15(20-13)21-17)18-9-8-11-4-6-12(16)7-5-11/h4-7H,3,8-9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyADVUSBKVPYGHJW-UHFFFAOYSA-N
XLogP2.94
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80994334) is N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is CCc1nc(NN)c(C)c(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is ADVUSBKVPYGHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-3-13-19-14(10(2)15(20-13)21-17)18-9-8-11-4-6-12(16)7-5-11/h4-7H,3,8-9,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80994334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).