3-decyl-5-iodopyrimidin-4-one

C14H23IN2O — CID 66309926

IUPAC3-decyl-5-iodopyrimidin-4-one
SMILESCCCCCCCCCCn1cncc(I)c1=O
InChIInChI=1S/C14H23IN2O/c1-2-3-4-5-6-7-8-9-10-17-12-16-11-13(15)14(17)18/h11-12H,2-10H2,1H3
InChIKeyYPYDHNOTHNFXDI-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.99
Rot. Bonds9

About 3-decyl-5-iodopyrimidin-4-one

3-decyl-5-iodopyrimidin-4-one (PubChem CID 66309926) has the molecular formula C14H23IN2O and a molecular weight of 362.26 g/mol. Its IUPAC name is 3-decyl-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-decyl-5-iodopyrimidin-4-one
PubChem CID66309926
Molecular FormulaC14H23IN2O
Molecular Weight362.26 g/mol
Exact Mass362.09
IUPAC Name3-decyl-5-iodopyrimidin-4-one
SMILESCCCCCCCCCCn1cncc(I)c1=O
InChIInChI=1S/C14H23IN2O/c1-2-3-4-5-6-7-8-9-10-17-12-16-11-13(15)14(17)18/h11-12H,2-10H2,1H3
InChIKeyYPYDHNOTHNFXDI-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decyl-5-iodopyrimidin-4-one?
The IUPAC name of 3-decyl-5-iodopyrimidin-4-one (CID 66309926) is 3-decyl-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-decyl-5-iodopyrimidin-4-one?
The canonical SMILES for 3-decyl-5-iodopyrimidin-4-one is CCCCCCCCCCn1cncc(I)c1=O.
What is the InChIKey of 3-decyl-5-iodopyrimidin-4-one?
The InChIKey is YPYDHNOTHNFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN2O/c1-2-3-4-5-6-7-8-9-10-17-12-16-11-13(15)14(17)18/h11-12H,2-10H2,1H3.
What are the key properties of 3-decyl-5-iodopyrimidin-4-one?
3-decyl-5-iodopyrimidin-4-one has a molecular weight of 362.26 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-5-iodopyrimidin-4-one is sourced from PubChem (CID 66309926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).