3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide

C8H10IN3O2 — CID 66342668

IUPAC3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(N)=O)c(=O)c1I
InChIInChI=1S/C8H10IN3O2/c1-5-7(9)8(14)12(4-11-5)3-2-6(10)13/h4H,2-3H2,1H3,(H2,10,13)
InChIKeySRTUNTRTHSSSSK-UHFFFAOYSA-N
MW307.09 g/mol
LogP0.03
Rot. Bonds3

About 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide

3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 66342668) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID66342668
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(N)=O)c(=O)c1I
InChIInChI=1S/C8H10IN3O2/c1-5-7(9)8(14)12(4-11-5)3-2-6(10)13/h4H,2-3H2,1H3,(H2,10,13)
InChIKeySRTUNTRTHSSSSK-UHFFFAOYSA-N
XLogP0.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 50.03
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-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide (CID 66342668) is 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1ncn(CCC(N)=O)c(=O)c1I.
What is the InChIKey of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is SRTUNTRTHSSSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-5-7(9)8(14)12(4-11-5)3-2-6(10)13/h4H,2-3H2,1H3,(H2,10,13).
What are the key properties of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 307.09 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 66342668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).