1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine

C11H18N2 — CID 167541074

IUPAC1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESCC(C)(C)N1CCCn2cccc21
InChIInChI=1S/C11H18N2/c1-11(2,3)13-9-5-8-12-7-4-6-10(12)13/h4,6-7H,5,8-9H2,1-3H3
InChIKeyOQPLJIZRDABUCD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.50
Rot. Bonds

About 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine

1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine (PubChem CID 167541074) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine
PubChem CID167541074
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESCC(C)(C)N1CCCn2cccc21
InChIInChI=1S/C11H18N2/c1-11(2,3)13-9-5-8-12-7-4-6-10(12)13/h4,6-7H,5,8-9H2,1-3H3
InChIKeyOQPLJIZRDABUCD-UHFFFAOYSA-N
XLogP2.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine (CID 167541074) is 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine is CC(C)(C)N1CCCn2cccc21.
What is the InChIKey of 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine?
The InChIKey is OQPLJIZRDABUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)13-9-5-8-12-7-4-6-10(12)13/h4,6-7H,5,8-9H2,1-3H3.
What are the key properties of 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine?
1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 167541074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).