N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C12H13Cl2N5 — CID 104728727

IUPACN-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Cl)c(Nc2nc(NN)ncc2C)cc1Cl
InChIInChI=1S/C12H13Cl2N5/c1-6-3-9(14)10(4-8(6)13)17-11-7(2)5-16-12(18-11)19-15/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyVGSYFHAQKDYMEV-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.43
Rot. Bonds3

About N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 104728727) has the molecular formula C12H13Cl2N5 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID104728727
Molecular FormulaC12H13Cl2N5
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Cl)c(Nc2nc(NN)ncc2C)cc1Cl
InChIInChI=1S/C12H13Cl2N5/c1-6-3-9(14)10(4-8(6)13)17-11-7(2)5-16-12(18-11)19-15/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyVGSYFHAQKDYMEV-UHFFFAOYSA-N
XLogP3.43
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.43
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-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 104728727) is N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is Cc1cc(Cl)c(Nc2nc(NN)ncc2C)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is VGSYFHAQKDYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5/c1-6-3-9(14)10(4-8(6)13)17-11-7(2)5-16-12(18-11)19-15/h3-5H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 298.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 104728727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).