3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one

C10H14IN3O — CID 66309308

IUPAC3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCNC1CC1
InChIInChI=1S/C10H14IN3O/c11-9-6-12-7-14(10(9)15)5-1-4-13-8-2-3-8/h6-8,13H,1-5H2
InChIKeyRXZKVTWOMSIMOI-UHFFFAOYSA-N
MW319.15 g/mol
LogP0.99
Rot. Bonds5

About 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one

3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one (PubChem CID 66309308) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one
PubChem CID66309308
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCNC1CC1
InChIInChI=1S/C10H14IN3O/c11-9-6-12-7-14(10(9)15)5-1-4-13-8-2-3-8/h6-8,13H,1-5H2
InChIKeyRXZKVTWOMSIMOI-UHFFFAOYSA-N
XLogP0.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one (CID 66309308) is 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCCNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one?
The InChIKey is RXZKVTWOMSIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-9-6-12-7-14(10(9)15)5-1-4-13-8-2-3-8/h6-8,13H,1-5H2.
What are the key properties of 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one?
3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one has a molecular weight of 319.15 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66309308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).