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

C8H11IN2O2 — CID 114676086

IUPAC5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN2O2/c1-5(2)3-13-8-6(9)7(12)10-4-11-8/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyHQVMBTLTBFRMRX-UHFFFAOYSA-N
MW294.09 g/mol
LogP1.41
Rot. Bonds3

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

5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one (PubChem CID 114676086) has the molecular formula C8H11IN2O2 and a molecular weight of 294.09 g/mol. Its IUPAC name is 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one
PubChem CID114676086
Molecular FormulaC8H11IN2O2
Molecular Weight294.09 g/mol
Exact Mass293.99
IUPAC Name5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)COc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN2O2/c1-5(2)3-13-8-6(9)7(12)10-4-11-8/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyHQVMBTLTBFRMRX-UHFFFAOYSA-N
XLogP1.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 51.41
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-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675907
4-(2,2-difluoroethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114676545
5-iodo-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 114676551
5-iodo-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 114676563
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179376
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284599
5-iodo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404135
4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one
CID 103489529

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one (CID 114676086) is 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one is CC(C)COc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
The InChIKey is HQVMBTLTBFRMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2/c1-5(2)3-13-8-6(9)7(12)10-4-11-8/h4-5H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one?
5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one has a molecular weight of 294.09 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).