3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide

C10H19N5O — CID 114999049

IUPAC3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(C)[nH]c1N
InChIInChI=1S/C10H19N5O/c1-3-5-12-8(16)4-6-13-10-9(11)14-7(2)15-10/h13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyTYIAOZDGJORGJK-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.63
Rot. Bonds6

About 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide

3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide (PubChem CID 114999049) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
PubChem CID114999049
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(C)[nH]c1N
InChIInChI=1S/C10H19N5O/c1-3-5-12-8(16)4-6-13-10-9(11)14-7(2)15-10/h13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyTYIAOZDGJORGJK-UHFFFAOYSA-N
XLogP0.63
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide
CID 114998598
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide
CID 82239157
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80819686
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 66281292
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 103360319
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819584
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine
CID 114988235

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide (CID 114999049) is 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(C)[nH]c1N.
What is the InChIKey of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide?
The InChIKey is TYIAOZDGJORGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-5-12-8(16)4-6-13-10-9(11)14-7(2)15-10/h13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide?
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide has a molecular weight of 225.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 114999049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).