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

C11H18N4O2 — CID 106278290

IUPAC3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(OC)cn1
InChIInChI=1S/C11H18N4O2/c1-11(2,9(16)12-3)7-15-10-13-5-8(17-4)6-14-10/h5-6H,7H2,1-4H3,(H,12,16)(H,13,14,15)
InChIKeySIUOUBVBPNOYQB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds5

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

3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106278290) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106278290
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncc(OC)cn1
InChIInChI=1S/C11H18N4O2/c1-11(2,9(16)12-3)7-15-10-13-5-8(17-4)6-14-10/h5-6H,7H2,1-4H3,(H,12,16)(H,13,14,15)
InChIKeySIUOUBVBPNOYQB-UHFFFAOYSA-N
XLogP0.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 104844185
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823309
1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114600511
3,3,3-trifluoro-N-(5-methoxypyrimidin-2-yl)-2,2-dimethylpropanamide
CID 146142879
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 114600677
3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106278262
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
CID 114600536
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280884
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide (CID 106278290) is 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncc(OC)cn1.
What is the InChIKey of 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is SIUOUBVBPNOYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,9(16)12-3)7-15-10-13-5-8(17-4)6-14-10/h5-6H,7H2,1-4H3,(H,12,16)(H,13,14,15).
What are the key properties of 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).