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

C15H22N4O — CID 102789047

IUPAC[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(C)n2cc(CN3CCC(C)C3CO)nc2n1
InChIInChI=1S/C15H22N4O/c1-10-4-5-18(14(10)9-20)7-13-8-19-12(3)6-11(2)16-15(19)17-13/h6,8,10,14,20H,4-5,7,9H2,1-3H3
InChIKeyJLSDKXNBWOKPDI-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.55
Rot. Bonds3

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

[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789047) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789047
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(C)n2cc(CN3CCC(C)C3CO)nc2n1
InChIInChI=1S/C15H22N4O/c1-10-4-5-18(14(10)9-20)7-13-8-19-12(3)6-11(2)16-15(19)17-13/h6,8,10,14,20H,4-5,7,9H2,1-3H3
InChIKeyJLSDKXNBWOKPDI-UHFFFAOYSA-N
XLogP1.55
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789047) is [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol is Cc1cc(C)n2cc(CN3CCC(C)C3CO)nc2n1.
What is the InChIKey of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is JLSDKXNBWOKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-4-5-18(14(10)9-20)7-13-8-19-12(3)6-11(2)16-15(19)17-13/h6,8,10,14,20H,4-5,7,9H2,1-3H3.
What are the key properties of [1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 274.37 g/mol, XLogP of 1.55, 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-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).