N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide

C8H10IN3O2 — CID 134560124

IUPACN-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccn(I)c(=O)n1
InChIInChI=1S/C8H10IN3O2/c1-5(2)7(13)10-6-3-4-12(9)8(14)11-6/h3-5H,1-2H3,(H,10,11,13,14)
InChIKeyIJKVRGIHSUHSHD-UHFFFAOYSA-N
MW307.09 g/mol
LogP1.04
Rot. Bonds2

About N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide

N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide (PubChem CID 134560124) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide
PubChem CID134560124
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC NameN-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccn(I)c(=O)n1
InChIInChI=1S/C8H10IN3O2/c1-5(2)7(13)10-6-3-4-12(9)8(14)11-6/h3-5H,1-2H3,(H,10,11,13,14)
InChIKeyIJKVRGIHSUHSHD-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 51.04
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 N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide (CID 134560124) is N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccn(I)c(=O)n1.
What is the InChIKey of N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is IJKVRGIHSUHSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-5(2)7(13)10-6-3-4-12(9)8(14)11-6/h3-5H,1-2H3,(H,10,11,13,14).
What are the key properties of N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide?
N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 307.09 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 134560124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).