3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine

C11H15N3 — CID 89372665

IUPAC3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine
SMILESCCC(C)c1c(C)nc2ncccn12
InChIInChI=1S/C11H15N3/c1-4-8(2)10-9(3)13-11-12-6-5-7-14(10)11/h5-8H,4H2,1-3H3
InChIKeyOCQAHHBVDJDRHU-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds2

About 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine

3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine (PubChem CID 89372665) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine
PubChem CID89372665
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine
SMILESCCC(C)c1c(C)nc2ncccn12
InChIInChI=1S/C11H15N3/c1-4-8(2)10-9(3)13-11-12-6-5-7-14(10)11/h5-8H,4H2,1-3H3
InChIKeyOCQAHHBVDJDRHU-UHFFFAOYSA-N
XLogP2.55
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine (CID 89372665) is 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine is CCC(C)c1c(C)nc2ncccn12.
What is the InChIKey of 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine?
The InChIKey is OCQAHHBVDJDRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-8(2)10-9(3)13-11-12-6-5-7-14(10)11/h5-8H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine?
3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 89372665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).