N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

C12H13ClIN5 — CID 107604941

IUPACN-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H13ClIN5/c1-2-8-11(16-6-17-12(8)19-15)18-10-4-3-7(14)5-9(10)13/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyQVBDWKGIJGKFBU-UHFFFAOYSA-N
MW389.63 g/mol
LogP3.33
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 107604941) has the molecular formula C12H13ClIN5 and a molecular weight of 389.63 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID107604941
Molecular FormulaC12H13ClIN5
Molecular Weight389.63 g/mol
Exact Mass388.99
IUPAC NameN-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H13ClIN5/c1-2-8-11(16-6-17-12(8)19-15)18-10-4-3-7(14)5-9(10)13/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyQVBDWKGIJGKFBU-UHFFFAOYSA-N
XLogP3.33
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103482018
4-N-(2-chloro-4-iodophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107604821
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80927591
5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80905202
N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 83083447
3-(2-chloro-4-iodoanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 107606703
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (CID 107604941) is N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1c(NN)ncnc1Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is QVBDWKGIJGKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClIN5/c1-2-8-11(16-6-17-12(8)19-15)18-10-4-3-7(14)5-9(10)13/h3-6H,2,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 389.63 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 107604941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).