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

C7H10IN3O — CID 136955881

IUPAC5-iodo-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyXCPSXZHBYPINQX-UHFFFAOYSA-N
MW279.08 g/mol
LogP1.20
Rot. Bonds3

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

5-iodo-4-(propylamino)-1H-pyrimidin-6-one (PubChem CID 136955881) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is 5-iodo-4-(propylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(propylamino)-1H-pyrimidin-6-one
PubChem CID136955881
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC Name5-iodo-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyXCPSXZHBYPINQX-UHFFFAOYSA-N
XLogP1.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 51.20
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 5-iodo-4-(propylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(propylamino)-1H-pyrimidin-6-one (CID 136955881) is 5-iodo-4-(propylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(propylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(propylamino)-1H-pyrimidin-6-one is CCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(propylamino)-1H-pyrimidin-6-one?
The InChIKey is XCPSXZHBYPINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-iodo-4-(propylamino)-1H-pyrimidin-6-one?
5-iodo-4-(propylamino)-1H-pyrimidin-6-one has a molecular weight of 279.08 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(propylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).