2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine

C13H13ClIN3 — CID 66307698

IUPAC2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2Cl)nc(C)c1I
InChIInChI=1S/C13H13ClIN3/c1-8-12(15)13(16-2)18-11(17-8)7-9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyQTEBRKAFSPGMPK-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.68
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine

2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66307698) has the molecular formula C13H13ClIN3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66307698
Molecular FormulaC13H13ClIN3
Molecular Weight373.63 g/mol
Exact Mass372.98
IUPAC Name2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2Cl)nc(C)c1I
InChIInChI=1S/C13H13ClIN3/c1-8-12(15)13(16-2)18-11(17-8)7-9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyQTEBRKAFSPGMPK-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66307698) is 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(Cc2ccccc2Cl)nc(C)c1I.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is QTEBRKAFSPGMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3/c1-8-12(15)13(16-2)18-11(17-8)7-9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 373.63 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66307698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).