2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine

C9H16N4 — CID 118898234

IUPAC2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine
SMILESCc1ncc([C@@H]2CCCN2C)n1N
InChIInChI=1S/C9H16N4/c1-7-11-6-9(13(7)10)8-4-3-5-12(8)2/h6,8H,3-5,10H2,1-2H3/t8-/m0/s1
InChIKeyKMTCFJAUOPDXPF-QMMMGPOBSA-N
MW180.25 g/mol
LogP0.67
Rot. Bonds1

About 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine

2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine (PubChem CID 118898234) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine.

Molecular Properties

Compound Name2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine
PubChem CID118898234
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine
SMILESCc1ncc([C@@H]2CCCN2C)n1N
InChIInChI=1S/C9H16N4/c1-7-11-6-9(13(7)10)8-4-3-5-12(8)2/h6,8H,3-5,10H2,1-2H3/t8-/m0/s1
InChIKeyKMTCFJAUOPDXPF-QMMMGPOBSA-N
XLogP0.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane
CID 58651658
2-methoxy-3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 102542386
3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 11858854
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine
CID 115019985
4-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
CID 59551929
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine?
The IUPAC name of 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine (CID 118898234) is 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine.
What is the SMILES notation for 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine?
The canonical SMILES for 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine is Cc1ncc([C@@H]2CCCN2C)n1N.
What is the InChIKey of 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine?
The InChIKey is KMTCFJAUOPDXPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-11-6-9(13(7)10)8-4-3-5-12(8)2/h6,8H,3-5,10H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine?
2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine is sourced from PubChem (CID 118898234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).