3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C10H15IN4O — CID 106278251

IUPAC3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncncc1I
InChIInChI=1S/C10H15IN4O/c1-10(2,9(16)12-3)5-14-8-7(11)4-13-6-15-8/h4,6H,5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyKKNJHDGTYVMFJR-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.27
Rot. Bonds4

About 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106278251) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106278251
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncncc1I
InChIInChI=1S/C10H15IN4O/c1-10(2,9(16)12-3)5-14-8-7(11)4-13-6-15-8/h4,6H,5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyKKNJHDGTYVMFJR-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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Related Compounds

3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 104844185
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
CID 106278325
N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
CID 66340325
3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167793
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide
CID 66340117
N-[2-(chloromethyl)-2-ethylbutyl]-5-iodopyrimidin-4-amine
CID 106252724
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
CID 103823303
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280798

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 106278251) is 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncncc1I.
What is the InChIKey of 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is KKNJHDGTYVMFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c1-10(2,9(16)12-3)5-14-8-7(11)4-13-6-15-8/h4,6H,5H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of 3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-iodopyrimidin-4-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-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).