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

C7H13N5O — CID 82239157

IUPAC3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide
SMILESCc1nc(NCCC(N)=O)c(N)[nH]1
InChIInChI=1S/C7H13N5O/c1-4-11-6(9)7(12-4)10-3-2-5(8)13/h10H,2-3,9H2,1H3,(H2,8,13)(H,11,12)
InChIKeyRIDRFBMSWFREBP-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.41
Rot. Bonds4

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

3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide (PubChem CID 82239157) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide
PubChem CID82239157
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide
SMILESCc1nc(NCCC(N)=O)c(N)[nH]1
InChIInChI=1S/C7H13N5O/c1-4-11-6(9)7(12-4)10-3-2-5(8)13/h10H,2-3,9H2,1H3,(H2,8,13)(H,11,12)
InChIKeyRIDRFBMSWFREBP-UHFFFAOYSA-N
XLogP-0.41
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.41
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]-N-propylpropanamide
CID 114999049
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528
2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine
CID 114988235
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
CID 80971178
3-[(3-aminopyrazin-2-yl)amino]propanamide
CID 102983726
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
2-[(5-amino-2-methyl-1H-imidazol-4-yl)sulfanyl]acetamide
CID 23064488
3-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]propanamide
CID 80732228
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787750
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide?
The IUPAC name of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide (CID 82239157) is 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide?
The canonical SMILES for 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide is Cc1nc(NCCC(N)=O)c(N)[nH]1.
What is the InChIKey of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide?
The InChIKey is RIDRFBMSWFREBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4-11-6(9)7(12-4)10-3-2-5(8)13/h10H,2-3,9H2,1H3,(H2,8,13)(H,11,12).
What are the key properties of 3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide?
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide has a molecular weight of 183.22 g/mol, XLogP of -0.41, 4 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]propanamide is sourced from PubChem (CID 82239157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).