6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine

C13H12Cl2IN3 — CID 107607437

IUPAC6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H12Cl2IN3/c1-2-3-9-12(15)17-7-18-13(9)19-11-5-4-8(16)6-10(11)14/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyRGQXYQYEJOYRJH-UHFFFAOYSA-N
MW408.07 g/mol
LogP5.08
Rot. Bonds4

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

6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine (PubChem CID 107607437) has the molecular formula C13H12Cl2IN3 and a molecular weight of 408.07 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
PubChem CID107607437
Molecular FormulaC13H12Cl2IN3
Molecular Weight408.07 g/mol
Exact Mass406.95
IUPAC Name6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H12Cl2IN3/c1-2-3-9-12(15)17-7-18-13(9)19-11-5-4-8(16)6-10(11)14/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyRGQXYQYEJOYRJH-UHFFFAOYSA-N
XLogP5.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.07
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107604941
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
N-(5-bromo-2-iodophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 114261134
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine (CID 107607437) is 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine?
The InChIKey is RGQXYQYEJOYRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2IN3/c1-2-3-9-12(15)17-7-18-13(9)19-11-5-4-8(16)6-10(11)14/h4-7H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine has a molecular weight of 408.07 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 107607437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).