2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide

C10H14IN3O2 — CID 66339811

IUPAC2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-3-4-12-9(15)6-14-7(2)13-5-8(11)10(14)16/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyMFIPCSCRRDUTNA-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.68
Rot. Bonds4

About 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide

2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide (PubChem CID 66339811) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
PubChem CID66339811
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-3-4-12-9(15)6-14-7(2)13-5-8(11)10(14)16/h5H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyMFIPCSCRRDUTNA-UHFFFAOYSA-N
XLogP0.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.68
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 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide (CID 66339811) is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C)ncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
The InChIKey is MFIPCSCRRDUTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-3-4-12-9(15)6-14-7(2)13-5-8(11)10(14)16/h5H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide?
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide has a molecular weight of 335.15 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 66339811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).