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

C11H16IN3O2 — CID 66308011

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-8(2)3-4-14-10(16)6-15-7-13-5-9(12)11(15)17/h5,7-8H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyUBAAQWQKEOQZPN-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.01
Rot. Bonds5

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 66308011) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID66308011
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-8(2)3-4-14-10(16)6-15-7-13-5-9(12)11(15)17/h5,7-8H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyUBAAQWQKEOQZPN-UHFFFAOYSA-N
XLogP1.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.01
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-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (CID 66308011) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is UBAAQWQKEOQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-8(2)3-4-14-10(16)6-15-7-13-5-9(12)11(15)17/h5,7-8H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 349.17 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 66308011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).