3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

C10H15IN4O — CID 104844185

IUPAC3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(I)cn1
InChIInChI=1S/C10H15IN4O/c1-10(2,8(16)12-3)6-15-9-13-4-7(11)5-14-9/h4-5H,6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyPZLCEOAQJCDPHN-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.27
Rot. Bonds4

About 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 104844185) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID104844185
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(I)cn1
InChIInChI=1S/C10H15IN4O/c1-10(2,8(16)12-3)6-15-9-13-4-7(11)5-14-9/h4-5H,6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyPZLCEOAQJCDPHN-UHFFFAOYSA-N
XLogP1.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.27
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 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (CID 104844185) is 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncc(I)cn1.
What is the InChIKey of 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is PZLCEOAQJCDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c1-10(2,8(16)12-3)6-15-9-13-4-7(11)5-14-9/h4-5H,6H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 334.16 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 104844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).