5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one

C10H15IN2O — CID 66340470

IUPAC5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCC(C)C
InChIInChI=1S/C10H15IN2O/c1-7(2)4-5-13-8(3)12-6-9(11)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyXCQYZYXGYIZWOK-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.20
Rot. Bonds3

About 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one

5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one (PubChem CID 66340470) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
PubChem CID66340470
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCC(C)C
InChIInChI=1S/C10H15IN2O/c1-7(2)4-5-13-8(3)12-6-9(11)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyXCQYZYXGYIZWOK-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
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 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one (CID 66340470) is 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one is Cc1ncc(I)c(=O)n1CCC(C)C.
What is the InChIKey of 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The InChIKey is XCQYZYXGYIZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-7(2)4-5-13-8(3)12-6-9(11)10(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one has a molecular weight of 306.15 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 66340470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).