5,6-Ditert-butyl-1,4-dihydropyrimidine

C12H22N2 — CID 169298264

IUPAC5,6-ditert-butyl-1,4-dihydropyrimidine
SMILESCC(C)(C)C1=C(NC=NC1)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)9-7-13-8-14-10(9)12(4,5)6/h8H,7H2,1-6H3,(H,13,14)
InChIKeyVOHWSQPLJDHJDF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.50
Rot. Bonds2

About 5,6-Ditert-butyl-1,4-dihydropyrimidine

5,6-Ditert-butyl-1,4-dihydropyrimidine (PubChem CID 169298264) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5,6-Ditert-butyl-1,4-dihydropyrimidine
PubChem CID169298264
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5,6-ditert-butyl-1,4-dihydropyrimidine
SMILESCC(C)(C)C1=C(NC=NC1)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)9-7-13-8-14-10(9)12(4,5)6/h8H,7H2,1-6H3,(H,13,14)
InChIKeyVOHWSQPLJDHJDF-UHFFFAOYSA-N
XLogP2.50
TPSA24.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity272

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-Ditert-butyl-1,4-dihydropyrimidine?
The IUPAC name of 5,6-Ditert-butyl-1,4-dihydropyrimidine (CID 169298264) is 5,6-ditert-butyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5,6-Ditert-butyl-1,4-dihydropyrimidine?
The canonical SMILES for 5,6-Ditert-butyl-1,4-dihydropyrimidine is CC(C)(C)C1=C(NC=NC1)C(C)(C)C.
What is the InChIKey of 5,6-Ditert-butyl-1,4-dihydropyrimidine?
The InChIKey is VOHWSQPLJDHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)9-7-13-8-14-10(9)12(4,5)6/h8H,7H2,1-6H3,(H,13,14).
What are the key properties of 5,6-Ditert-butyl-1,4-dihydropyrimidine?
5,6-Ditert-butyl-1,4-dihydropyrimidine has a molecular weight of 194.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-Ditert-butyl-1,4-dihydropyrimidine is sourced from PubChem (CID 169298264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).