5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one

C10H15IN2O2 — CID 103284599

IUPAC5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
SMILESCCCC(C)COc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNNXRKWVSOHJUKC-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.19
Rot. Bonds5

About 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one

5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one (PubChem CID 103284599) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
PubChem CID103284599
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
SMILESCCCC(C)COc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNNXRKWVSOHJUKC-UHFFFAOYSA-N
XLogP2.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284591
5-bromo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284594
5-amino-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103286547
4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103286552
4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203666
4-(2-cyclobutylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203691
5-iodo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448547
5-iodo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666431
4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586484

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one (CID 103284599) is 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one is CCCC(C)COc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
The InChIKey is NNXRKWVSOHJUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-3-4-7(2)5-15-10-8(11)9(14)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one?
5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one has a molecular weight of 322.15 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103284599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).