2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

C10H12IN3O2 — CID 66343117

IUPAC2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(C)c(I)c1=O
InChIInChI=1S/C10H12IN3O2/c1-3-4-12-8(15)5-14-6-13-7(2)9(11)10(14)16/h3,6H,1,4-5H2,2H3,(H,12,15)
InChIKeyRZULTPQFZDRNEW-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.46
Rot. Bonds4

About 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 66343117) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
PubChem CID66343117
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC Name2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(C)c(I)c1=O
InChIInChI=1S/C10H12IN3O2/c1-3-4-12-8(15)5-14-6-13-7(2)9(11)10(14)16/h3,6H,1,4-5H2,2H3,(H,12,15)
InChIKeyRZULTPQFZDRNEW-UHFFFAOYSA-N
XLogP0.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (CID 66343117) is 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cnc(C)c(I)c1=O.
What is the InChIKey of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is RZULTPQFZDRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c1-3-4-12-8(15)5-14-6-13-7(2)9(11)10(14)16/h3,6H,1,4-5H2,2H3,(H,12,15).
What are the key properties of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 333.13 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 66343117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).