3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine

C13H17N3O — CID 114266902

IUPAC3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(C)c(C3CCOC3)nc2n1
InChIInChI=1S/C13H17N3O/c1-8-6-9(2)16-10(3)12(15-13(16)14-8)11-4-5-17-7-11/h6,11H,4-5,7H2,1-3H3
InChIKeySCCQHECTUSURJV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds1

About 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine

3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine (PubChem CID 114266902) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine
PubChem CID114266902
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(C)c(C3CCOC3)nc2n1
InChIInChI=1S/C13H17N3O/c1-8-6-9(2)16-10(3)12(15-13(16)14-8)11-4-5-17-7-11/h6,11H,4-5,7H2,1-3H3
InChIKeySCCQHECTUSURJV-UHFFFAOYSA-N
XLogP2.16
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-3-methyl-2-(oxolan-3-yl)imidazo[1,2-a]pyridine
CID 71251291
5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 115404390
6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315087
5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126803906
2-bromo-5-methyl-6-(oxolan-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 130503537
5,7-dimethyl-3-piperidin-3-ylimidazo[1,2-a]pyrimidine
CID 83840539
5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129380278
4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine
CID 23766177
3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 97445273
5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 86286168
ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
CID 144669764
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine (CID 114266902) is 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine is Cc1cc(C)n2c(C)c(C3CCOC3)nc2n1.
What is the InChIKey of 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is SCCQHECTUSURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-6-9(2)16-10(3)12(15-13(16)14-8)11-4-5-17-7-11/h6,11H,4-5,7H2,1-3H3.
What are the key properties of 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine?
3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 114266902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).