4-tert-butylpyrrolo[1,2-a]pyrimidine

C11H14N2 — CID 58270248

IUPAC4-tert-butylpyrrolo[1,2-a]pyrimidine
SMILESCC(C)(C)c1ccnc2cccn12
InChIInChI=1S/C11H14N2/c1-11(2,3)9-6-7-12-10-5-4-8-13(9)10/h4-8H,1-3H3
InChIKeyCIHDWGPCMJSMHQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.63
Rot. Bonds

About 4-tert-butylpyrrolo[1,2-a]pyrimidine

4-tert-butylpyrrolo[1,2-a]pyrimidine (PubChem CID 58270248) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-tert-butylpyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-tert-butylpyrrolo[1,2-a]pyrimidine
PubChem CID58270248
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-tert-butylpyrrolo[1,2-a]pyrimidine
SMILESCC(C)(C)c1ccnc2cccn12
InChIInChI=1S/C11H14N2/c1-11(2,3)9-6-7-12-10-5-4-8-13(9)10/h4-8H,1-3H3
InChIKeyCIHDWGPCMJSMHQ-UHFFFAOYSA-N
XLogP2.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyrrolo[1,2-a]pyrimidine?
The IUPAC name of 4-tert-butylpyrrolo[1,2-a]pyrimidine (CID 58270248) is 4-tert-butylpyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 4-tert-butylpyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 4-tert-butylpyrrolo[1,2-a]pyrimidine is CC(C)(C)c1ccnc2cccn12.
What is the InChIKey of 4-tert-butylpyrrolo[1,2-a]pyrimidine?
The InChIKey is CIHDWGPCMJSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)9-6-7-12-10-5-4-8-13(9)10/h4-8H,1-3H3.
What are the key properties of 4-tert-butylpyrrolo[1,2-a]pyrimidine?
4-tert-butylpyrrolo[1,2-a]pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 58270248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).