6-tert-butyl-1H-pyrimidine-2,4-dione

C8H12N2O2 — CID 817312

IUPAC6-tert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-6(11)10-7(12)9-5/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyBFWDTJWBVUGSOT-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.36
Rot. Bonds

About 6-tert-butyl-1H-pyrimidine-2,4-dione

6-tert-butyl-1H-pyrimidine-2,4-dione (PubChem CID 817312) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-tert-butyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-1H-pyrimidine-2,4-dione
PubChem CID817312
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-tert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)5-4-6(11)10-7(12)9-5/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyBFWDTJWBVUGSOT-UHFFFAOYSA-N
XLogP0.36
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-tert-butyl-1H-pyrimidine-2,4-dione (CID 817312) is 6-tert-butyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-tert-butyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-tert-butyl-1H-pyrimidine-2,4-dione is CC(C)(C)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-tert-butyl-1H-pyrimidine-2,4-dione?
The InChIKey is BFWDTJWBVUGSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)5-4-6(11)10-7(12)9-5/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 6-tert-butyl-1H-pyrimidine-2,4-dione?
6-tert-butyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 817312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).