5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine

C6H5Cl3IN3 — CID 165466617

IUPAC5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine
SMILESCc1nc(C(Cl)(Cl)Cl)nc(N)c1I
InChIInChI=1S/C6H5Cl3IN3/c1-2-3(10)4(11)13-5(12-2)6(7,8)9/h1H3,(H2,11,12,13)
InChIKeyHIZQZNSMHYLRRF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.80
Rot. Bonds

About 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine

5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine (PubChem CID 165466617) has the molecular formula C6H5Cl3IN3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine
PubChem CID165466617
Molecular FormulaC6H5Cl3IN3
Molecular Weight352.39 g/mol
Exact Mass350.86
IUPAC Name5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine
SMILESCc1nc(C(Cl)(Cl)Cl)nc(N)c1I
InChIInChI=1S/C6H5Cl3IN3/c1-2-3(10)4(11)13-5(12-2)6(7,8)9/h1H3,(H2,11,12,13)
InChIKeyHIZQZNSMHYLRRF-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine (CID 165466617) is 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine is Cc1nc(C(Cl)(Cl)Cl)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine?
The InChIKey is HIZQZNSMHYLRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3IN3/c1-2-3(10)4(11)13-5(12-2)6(7,8)9/h1H3,(H2,11,12,13).
What are the key properties of 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine?
5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine has a molecular weight of 352.39 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine is sourced from PubChem (CID 165466617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).