(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol

C13H18N4O — CID 112734197

IUPAC(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C)n2cc(CN3CC[C@@H](O)C3)nc2n1
InChIInChI=1S/C13H18N4O/c1-9-5-10(2)17-7-11(15-13(17)14-9)6-16-4-3-12(18)8-16/h5,7,12,18H,3-4,6,8H2,1-2H3/t12-/m1/s1
InChIKeyJNWBSXGRSCFQEO-GFCCVEGCSA-N
MW246.31 g/mol
LogP0.91
Rot. Bonds2

About (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol

(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 112734197) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol
PubChem CID112734197
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C)n2cc(CN3CC[C@@H](O)C3)nc2n1
InChIInChI=1S/C13H18N4O/c1-9-5-10(2)17-7-11(15-13(17)14-9)6-16-4-3-12(18)8-16/h5,7,12,18H,3-4,6,8H2,1-2H3/t12-/m1/s1
InChIKeyJNWBSXGRSCFQEO-GFCCVEGCSA-N
XLogP0.91
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol (CID 112734197) is (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol is Cc1cc(C)n2cc(CN3CC[C@@H](O)C3)nc2n1.
What is the InChIKey of (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is JNWBSXGRSCFQEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-10(2)17-7-11(15-13(17)14-9)6-16-4-3-12(18)8-16/h5,7,12,18H,3-4,6,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol?
(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 246.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 112734197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).