2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

C13H23N5O — CID 80801346

IUPAC2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(NC)c1CC
InChIInChI=1S/C13H23N5O/c1-5-7-15-13(19)9(3)18-12-10(6-2)11(14-4)16-8-17-12/h8-9H,5-7H2,1-4H3,(H,15,19)(H2,14,16,17,18)
InChIKeyQVBLHOUCZKRKTE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds7

About 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (PubChem CID 80801346) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
PubChem CID80801346
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(NC)c1CC
InChIInChI=1S/C13H23N5O/c1-5-7-15-13(19)9(3)18-12-10(6-2)11(14-4)16-8-17-12/h8-9H,5-7H2,1-4H3,(H,15,19)(H2,14,16,17,18)
InChIKeyQVBLHOUCZKRKTE-UHFFFAOYSA-N
XLogP1.41
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 80800935
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234
2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide
CID 62683434
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
CID 136956505

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (CID 80801346) is 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncnc(NC)c1CC.
What is the InChIKey of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The InChIKey is QVBLHOUCZKRKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-15-13(19)9(3)18-12-10(6-2)11(14-4)16-8-17-12/h8-9H,5-7H2,1-4H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 80801346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).