3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one

C7H10IN3O — CID 66311020

IUPAC3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCN)c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-5-6(8)7(12)11(3-2-9)4-10-5/h4H,2-3,9H2,1H3
InChIKeyZNAYWDANJCTDJB-UHFFFAOYSA-N
MW279.08 g/mol
LogP0.12
Rot. Bonds2

About 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one

3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one (PubChem CID 66311020) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one
PubChem CID66311020
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC Name3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCN)c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-5-6(8)7(12)11(3-2-9)4-10-5/h4H,2-3,9H2,1H3
InChIKeyZNAYWDANJCTDJB-UHFFFAOYSA-N
XLogP0.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one (CID 66311020) is 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one is Cc1ncn(CCN)c(=O)c1I.
What is the InChIKey of 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one?
The InChIKey is ZNAYWDANJCTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-5-6(8)7(12)11(3-2-9)4-10-5/h4H,2-3,9H2,1H3.
What are the key properties of 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one?
3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one has a molecular weight of 279.08 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-iodo-6-methylpyrimidin-4-one is sourced from PubChem (CID 66311020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).