[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C15H24ClN5 — CID 120780920

IUPAC[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cc(C)n2c(CN3CCC(C)(CN)C3)cnc2n1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-11-6-12(2)20-13(7-17-14(20)18-11)8-19-5-4-15(3,9-16)10-19;/h6-7H,4-5,8-10,16H2,1-3H3;1H
InChIKeyUAPVPQILKPUXPH-UHFFFAOYSA-N
MW309.85 g/mol
LogP1.94
Rot. Bonds3

About [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780920) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780920
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cc(C)n2c(CN3CCC(C)(CN)C3)cnc2n1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-11-6-12(2)20-13(7-17-14(20)18-11)8-19-5-4-15(3,9-16)10-19;/h6-7H,4-5,8-10,16H2,1-3H3;1H
InChIKeyUAPVPQILKPUXPH-UHFFFAOYSA-N
XLogP1.94
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780708
[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780427
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967309
3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 84593618
4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,5,5-trimethylmorpholine
CID 86791705
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781080
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[3-methyl-1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780847
[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223

Frequently Asked Questions

What is the IUPAC name of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780920) is [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is Cc1cc(C)n2c(CN3CCC(C)(CN)C3)cnc2n1.Cl.
What is the InChIKey of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is UAPVPQILKPUXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.ClH/c1-11-6-12(2)20-13(7-17-14(20)18-11)8-19-5-4-15(3,9-16)10-19;/h6-7H,4-5,8-10,16H2,1-3H3;1H.
What are the key properties of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 309.85 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).