2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide

C8H11IN4O — CID 66340117

IUPAC2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1ncncc1I)C(N)=O
InChIInChI=1S/C8H11IN4O/c1-8(2,7(10)14)13-6-5(9)3-11-4-12-6/h3-4H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyVGZBBGNZSWNMGO-UHFFFAOYSA-N
MW306.11 g/mol
LogP0.76
Rot. Bonds3

About 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide

2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide (PubChem CID 66340117) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide
PubChem CID66340117
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC Name2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1ncncc1I)C(N)=O
InChIInChI=1S/C8H11IN4O/c1-8(2,7(10)14)13-6-5(9)3-11-4-12-6/h3-4H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyVGZBBGNZSWNMGO-UHFFFAOYSA-N
XLogP0.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 50.76
H-Bond Donors ≤ 52
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-iodopyrimidin-4-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide (CID 66340117) is 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide is CC(C)(Nc1ncncc1I)C(N)=O.
What is the InChIKey of 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide?
The InChIKey is VGZBBGNZSWNMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c1-8(2,7(10)14)13-6-5(9)3-11-4-12-6/h3-4H,1-2H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide?
2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide has a molecular weight of 306.11 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 66340117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).