N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine

C10H6Cl2IN3 — CID 116648816

IUPACN-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine
SMILESClc1cc(Cl)cc(Nc2ncc(I)cn2)c1
InChIInChI=1S/C10H6Cl2IN3/c11-6-1-7(12)3-9(2-6)16-10-14-4-8(13)5-15-10/h1-5H,(H,14,15,16)
InChIKeyUGPRJXHXKXEQLL-UHFFFAOYSA-N
MW365.99 g/mol
LogP4.13
Rot. Bonds2

About N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine

N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine (PubChem CID 116648816) has the molecular formula C10H6Cl2IN3 and a molecular weight of 365.99 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine
PubChem CID116648816
Molecular FormulaC10H6Cl2IN3
Molecular Weight365.99 g/mol
Exact Mass364.90
IUPAC NameN-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine
SMILESClc1cc(Cl)cc(Nc2ncc(I)cn2)c1
InChIInChI=1S/C10H6Cl2IN3/c11-6-1-7(12)3-9(2-6)16-10-14-4-8(13)5-15-10/h1-5H,(H,14,15,16)
InChIKeyUGPRJXHXKXEQLL-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

2-(3,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380287
N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
CID 116649026
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109268637
5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine
CID 116648839
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
1-N-(5-iodopyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 116648876
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 116648818
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258652

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine (CID 116648816) is N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine is Clc1cc(Cl)cc(Nc2ncc(I)cn2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine?
The InChIKey is UGPRJXHXKXEQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2IN3/c11-6-1-7(12)3-9(2-6)16-10-14-4-8(13)5-15-10/h1-5H,(H,14,15,16).
What are the key properties of N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine?
N-(3,5-dichlorophenyl)-5-iodopyrimidin-2-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-(3,5-dichlorophenyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).