1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine

C14H25N3 — CID 59483783

IUPAC1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine
SMILESCC(C)(C)c1ncn2c1N(C(C)(C)C)CCC2
InChIInChI=1S/C14H25N3/c1-13(2,3)11-12-16(10-15-11)8-7-9-17(12)14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyLTPDLNWXHBLWIH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.19
Rot. Bonds

About 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine

1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine (PubChem CID 59483783) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine
PubChem CID59483783
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine
SMILESCC(C)(C)c1ncn2c1N(C(C)(C)C)CCC2
InChIInChI=1S/C14H25N3/c1-13(2,3)11-12-16(10-15-11)8-7-9-17(12)14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyLTPDLNWXHBLWIH-UHFFFAOYSA-N
XLogP3.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine?
The IUPAC name of 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine (CID 59483783) is 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine?
The canonical SMILES for 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine is CC(C)(C)c1ncn2c1N(C(C)(C)C)CCC2.
What is the InChIKey of 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine?
The InChIKey is LTPDLNWXHBLWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,3)11-12-16(10-15-11)8-7-9-17(12)14(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine?
1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine has a molecular weight of 235.37 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-ditert-butyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 59483783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).