2-tert-butylimidazo[1,5-a]pyrimidine

C10H13N3 — CID 138656525

IUPAC2-tert-butylimidazo[1,5-a]pyrimidine
SMILESCC(C)(C)c1ccn2cncc2n1
InChIInChI=1S/C10H13N3/c1-10(2,3)8-4-5-13-7-11-6-9(13)12-8/h4-7H,1-3H3
InChIKeyLYTWJKBHBGHCFO-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.03
Rot. Bonds

About 2-tert-butylimidazo[1,5-a]pyrimidine

2-tert-butylimidazo[1,5-a]pyrimidine (PubChem CID 138656525) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-tert-butylimidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butylimidazo[1,5-a]pyrimidine
PubChem CID138656525
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-tert-butylimidazo[1,5-a]pyrimidine
SMILESCC(C)(C)c1ccn2cncc2n1
InChIInChI=1S/C10H13N3/c1-10(2,3)8-4-5-13-7-11-6-9(13)12-8/h4-7H,1-3H3
InChIKeyLYTWJKBHBGHCFO-UHFFFAOYSA-N
XLogP2.03
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimidazo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butylimidazo[1,5-a]pyrimidine (CID 138656525) is 2-tert-butylimidazo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butylimidazo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butylimidazo[1,5-a]pyrimidine is CC(C)(C)c1ccn2cncc2n1.
What is the InChIKey of 2-tert-butylimidazo[1,5-a]pyrimidine?
The InChIKey is LYTWJKBHBGHCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-10(2,3)8-4-5-13-7-11-6-9(13)12-8/h4-7H,1-3H3.
What are the key properties of 2-tert-butylimidazo[1,5-a]pyrimidine?
2-tert-butylimidazo[1,5-a]pyrimidine has a molecular weight of 175.23 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimidazo[1,5-a]pyrimidine is sourced from PubChem (CID 138656525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).