N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine

C10H6Cl2IN3 — CID 66340125

IUPACN-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESClc1ccc(Nc2ncncc2I)c(Cl)c1
InChIInChI=1S/C10H6Cl2IN3/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyNQAFOWGCJKBSJM-UHFFFAOYSA-N
MW365.99 g/mol
LogP4.13
Rot. Bonds2

About N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine

N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66340125) has the molecular formula C10H6Cl2IN3 and a molecular weight of 365.99 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66340125
Molecular FormulaC10H6Cl2IN3
Molecular Weight365.99 g/mol
Exact Mass364.90
IUPAC NameN-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESClc1ccc(Nc2ncncc2I)c(Cl)c1
InChIInChI=1S/C10H6Cl2IN3/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyNQAFOWGCJKBSJM-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.99
LogP ≤ 54.13
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-(2,5-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66342348
3-chloro-4-[(5-iodopyrimidin-4-yl)amino]benzonitrile
CID 107810071
N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66341231
N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 107577807
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 114840671
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
4-N-(2,4-dichlorophenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533172
2,5-dichloro-N-(5-chloro-2-iodophenyl)pyrimidin-4-amine
CID 165395228
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine (CID 66340125) is N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine is Clc1ccc(Nc2ncncc2I)c(Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is NQAFOWGCJKBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2IN3/c11-6-1-2-9(7(12)3-6)16-10-8(13)4-14-5-15-10/h1-5H,(H,14,15,16).
What are the key properties of N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine?
N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 365.99 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66340125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).