(4-iodo-2,6-dimethylpyrimidin-5-yl)methanol

C7H9IN2O — CID 138501475

IUPAC(4-iodo-2,6-dimethylpyrimidin-5-yl)methanol
SMILESCc1nc(C)c(CO)c(I)n1
InChIInChI=1S/C7H9IN2O/c1-4-6(3-11)7(8)10-5(2)9-4/h11H,3H2,1-2H3
InChIKeyOUKFNXPZXQPWFQ-UHFFFAOYSA-N
MW264.07 g/mol
LogP1.19
Rot. Bonds1

About (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol

(4-iodo-2,6-dimethylpyrimidin-5-yl)methanol (PubChem CID 138501475) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-iodo-2,6-dimethylpyrimidin-5-yl)methanol
PubChem CID138501475
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name(4-iodo-2,6-dimethylpyrimidin-5-yl)methanol
SMILESCc1nc(C)c(CO)c(I)n1
InChIInChI=1S/C7H9IN2O/c1-4-6(3-11)7(8)10-5(2)9-4/h11H,3H2,1-2H3
InChIKeyOUKFNXPZXQPWFQ-UHFFFAOYSA-N
XLogP1.19
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.19
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 (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol?
The IUPAC name of (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol (CID 138501475) is (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol is Cc1nc(C)c(CO)c(I)n1.
What is the InChIKey of (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol?
The InChIKey is OUKFNXPZXQPWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c1-4-6(3-11)7(8)10-5(2)9-4/h11H,3H2,1-2H3.
What are the key properties of (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol?
(4-iodo-2,6-dimethylpyrimidin-5-yl)methanol has a molecular weight of 264.07 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2,6-dimethylpyrimidin-5-yl)methanol is sourced from PubChem (CID 138501475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).