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

C11H16IN3O2 — CID 66310764

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-7(2)8(3)14-10(16)5-15-6-13-4-9(12)11(15)17/h4,6-8H,5H2,1-3H3,(H,14,16)
InChIKeyCNAPGPJVENVOIF-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.01
Rot. Bonds4

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 66310764) 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-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID66310764
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-7(2)8(3)14-10(16)5-15-6-13-4-9(12)11(15)17/h4,6-8H,5H2,1-3H3,(H,14,16)
InChIKeyCNAPGPJVENVOIF-UHFFFAOYSA-N
XLogP1.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

3-(3-methyl-2-oxobutyl)-5-(propan-2-ylamino)-2H-pyrimidin-2-id-4-one;rubidium(1+)
CID 59915852
3-(3-Methyl-2-oxobutyl)-5-(propan-2-ylamino)pyrimidin-4-one
CID 59915853
3-[2-(3-Methylbutan-2-ylamino)ethyl]pyrimidin-4-one
CID 63795618
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66307801
N-butyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66307812
N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66307814
N-tert-butyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308010
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66308011
2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66308025
5-Iodo-3-[4-(propan-2-ylamino)butyl]pyrimidin-4-one
CID 66308042
5-Iodo-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 66308043
5-Iodo-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 66308045

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 66310764) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is CNAPGPJVENVOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-7(2)8(3)14-10(16)5-15-6-13-4-9(12)11(15)17/h4,6-8H,5H2,1-3H3,(H,14,16).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 349.17 g/mol, XLogP of 1.01, 4 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-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66310764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).