2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide

C10H14IN3O3 — CID 66309914

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O3/c1-17-4-2-3-13-9(15)6-14-7-12-5-8(11)10(14)16/h5,7H,2-4,6H2,1H3,(H,13,15)
InChIKeyMALPCHUWXWOWSR-UHFFFAOYSA-N
MW351.14 g/mol
LogP0.00
Rot. Bonds6

About 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide

2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 66309914) has the molecular formula C10H14IN3O3 and a molecular weight of 351.14 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID66309914
Molecular FormulaC10H14IN3O3
Molecular Weight351.14 g/mol
Exact Mass351.01
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O3/c1-17-4-2-3-13-9(15)6-14-7-12-5-8(11)10(14)16/h5,7H,2-4,6H2,1H3,(H,13,15)
InChIKeyMALPCHUWXWOWSR-UHFFFAOYSA-N
XLogP0.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide (CID 66309914) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is MALPCHUWXWOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O3/c1-17-4-2-3-13-9(15)6-14-7-12-5-8(11)10(14)16/h5,7H,2-4,6H2,1H3,(H,13,15).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 351.14 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 66309914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).