N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

C12H14ClN5 — CID 80938024

IUPACN-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN5/c1-2-10-16-11(7-12(17-10)18-14)15-9-6-4-3-5-8(9)13/h3-7H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyIUBFWKLZVKWPMF-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.72
Rot. Bonds4

About N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80938024) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80938024
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC NameN-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN5/c1-2-10-16-11(7-12(17-10)18-14)15-9-6-4-3-5-8(9)13/h3-7H,2,14H2,1H3,(H2,15,16,17,18)
InChIKeyIUBFWKLZVKWPMF-UHFFFAOYSA-N
XLogP2.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.72
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

N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-chloro-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80937547
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103587913
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761121
4-N-(2-chlorophenyl)-2-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 53214574
2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969729
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (CID 80938024) is N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is IUBFWKLZVKWPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-2-10-16-11(7-12(17-10)18-14)15-9-6-4-3-5-8(9)13/h3-7H,2,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80938024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).