6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine

C13H13ClIN3 — CID 55230248

IUPAC6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1ccccc1I
InChIInChI=1S/C13H13ClIN3/c1-8(2)11-12(14)16-7-17-13(11)18-10-6-4-3-5-9(10)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyGZICAHQQXOUWMM-UHFFFAOYSA-N
MW373.63 g/mol
LogP4.60
Rot. Bonds3

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

6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 55230248) has the molecular formula C13H13ClIN3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID55230248
Molecular FormulaC13H13ClIN3
Molecular Weight373.63 g/mol
Exact Mass372.98
IUPAC Name6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1ccccc1I
InChIInChI=1S/C13H13ClIN3/c1-8(2)11-12(14)16-7-17-13(11)18-10-6-4-3-5-9(10)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyGZICAHQQXOUWMM-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 54.60
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

6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571
6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735623
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 63734205
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
6-chloro-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63734235
5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071867
6-chloro-N-(3,4-dimethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735586
5-bromo-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 82703603
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251632

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine (CID 55230248) is 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1Nc1ccccc1I.
What is the InChIKey of 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is GZICAHQQXOUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3/c1-8(2)11-12(14)16-7-17-13(11)18-10-6-4-3-5-9(10)15/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 373.63 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 55230248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).