2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

C15H18IN3 — CID 66296793

IUPAC2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(C)c(-c2nc(N)c(I)c(C(C)C)n2)c1
InChIInChI=1S/C15H18IN3/c1-8(2)13-12(16)14(17)19-15(18-13)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyYVFBJLKBXXWYBQ-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.07
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66296793) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66296793
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC Name2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(C)c(-c2nc(N)c(I)c(C(C)C)n2)c1
InChIInChI=1S/C15H18IN3/c1-8(2)13-12(16)14(17)19-15(18-13)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H2,17,18,19)
InChIKeyYVFBJLKBXXWYBQ-UHFFFAOYSA-N
XLogP4.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.07
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-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66296793) is 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is Cc1ccc(C)c(-c2nc(N)c(I)c(C(C)C)n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is YVFBJLKBXXWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-8(2)13-12(16)14(17)19-15(18-13)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H2,17,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 367.23 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66296793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).