5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine

C9H8IN5 — CID 66307294

IUPAC5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncn2)nc(N)c1I
InChIInChI=1S/C9H8IN5/c1-5-7(10)8(11)15-9(14-5)6-2-3-12-4-13-6/h2-4H,1H3,(H2,11,14,15)
InChIKeyTZUXUFXMJABXNN-UHFFFAOYSA-N
MW313.10 g/mol
LogP1.43
Rot. Bonds1

About 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine

5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine (PubChem CID 66307294) has the molecular formula C9H8IN5 and a molecular weight of 313.10 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
PubChem CID66307294
Molecular FormulaC9H8IN5
Molecular Weight313.10 g/mol
Exact Mass312.98
IUPAC Name5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncn2)nc(N)c1I
InChIInChI=1S/C9H8IN5/c1-5-7(10)8(11)15-9(14-5)6-2-3-12-4-13-6/h2-4H,1H3,(H2,11,14,15)
InChIKeyTZUXUFXMJABXNN-UHFFFAOYSA-N
XLogP1.43
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine (CID 66307294) is 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine is Cc1nc(-c2ccncn2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The InChIKey is TZUXUFXMJABXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN5/c1-5-7(10)8(11)15-9(14-5)6-2-3-12-4-13-6/h2-4H,1H3,(H2,11,14,15).
What are the key properties of 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine has a molecular weight of 313.10 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66307294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).