5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine

C10H7Cl2IN4 — CID 114049909

IUPAC5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccc(Cl)cc2I)c1Cl
InChIInChI=1S/C10H7Cl2IN4/c11-5-1-2-7(6(13)3-5)17-10-8(12)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17)
InChIKeyUDXWYFZPBVVOHS-UHFFFAOYSA-N
MW381.00 g/mol
LogP3.71
Rot. Bonds2

About 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine

5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine (PubChem CID 114049909) has the molecular formula C10H7Cl2IN4 and a molecular weight of 381.00 g/mol. Its IUPAC name is 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
PubChem CID114049909
Molecular FormulaC10H7Cl2IN4
Molecular Weight381.00 g/mol
Exact Mass379.91
IUPAC Name5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccc(Cl)cc2I)c1Cl
InChIInChI=1S/C10H7Cl2IN4/c11-5-1-2-7(6(13)3-5)17-10-8(12)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17)
InChIKeyUDXWYFZPBVVOHS-UHFFFAOYSA-N
XLogP3.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.00
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 114049863
4-N-(4-chloro-2-iodophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107639119
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
CID 107634143
5-chloro-4-N-(2,6-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049862
2-(4-chloro-2-iodoanilino)pyridine-3-carbothioamide
CID 107635581
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66340125
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
5-chloro-4-N-(3,5-dichloro-4-fluorophenyl)pyrimidine-4,6-diamine
CID 114049905
1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
CID 107634251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine (CID 114049909) is 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine is Nc1ncnc(Nc2ccc(Cl)cc2I)c1Cl.
What is the InChIKey of 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine?
The InChIKey is UDXWYFZPBVVOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2IN4/c11-5-1-2-7(6(13)3-5)17-10-8(12)9(14)15-4-16-10/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine has a molecular weight of 381.00 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114049909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).