4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one

C10H14IN3O — CID 136955878

IUPAC4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCC2)c1I
InChIInChI=1S/C10H14IN3O/c11-8-9(12-6-13-10(8)15)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyWNCJIFAFBBUSSU-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.12
Rot. Bonds2

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

4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136955878) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136955878
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCC2)c1I
InChIInChI=1S/C10H14IN3O/c11-8-9(12-6-13-10(8)15)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyWNCJIFAFBBUSSU-UHFFFAOYSA-N
XLogP2.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one (CID 136955878) is 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCCC2)c1I.
What is the InChIKey of 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WNCJIFAFBBUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-8-9(12-6-13-10(8)15)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15).
What are the key properties of 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one?
4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136955878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).