2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide

C8H11IN4O — CID 104839937

IUPAC2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ncc(I)cn1
InChIInChI=1S/C8H11IN4O/c1-13(2)7(14)5-12-8-10-3-6(9)4-11-8/h3-4H,5H2,1-2H3,(H,10,11,12)
InChIKeyKPWVZUFUAZRDRQ-UHFFFAOYSA-N
MW306.11 g/mol
LogP0.58
Rot. Bonds3

About 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide

2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide (PubChem CID 104839937) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide
PubChem CID104839937
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC Name2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ncc(I)cn1
InChIInChI=1S/C8H11IN4O/c1-13(2)7(14)5-12-8-10-3-6(9)4-11-8/h3-4H,5H2,1-2H3,(H,10,11,12)
InChIKeyKPWVZUFUAZRDRQ-UHFFFAOYSA-N
XLogP0.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 50.58
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-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide (CID 104839937) is 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ncc(I)cn1.
What is the InChIKey of 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide?
The InChIKey is KPWVZUFUAZRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c1-13(2)7(14)5-12-8-10-3-6(9)4-11-8/h3-4H,5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide?
2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide has a molecular weight of 306.11 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 104839937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).