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

C9H14N2O2 — CID 58821044

IUPAC5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(C)(C)C
InChIInChI=1S/C9H14N2O2/c1-5-6(9(2,3)4)7(12)11-8(13)10-5/h1-4H3,(H2,10,11,12,13)
InChIKeyVUKQKAWLVDXKHB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.67
Rot. Bonds

About 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione

5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 58821044) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID58821044
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(C)(C)C
InChIInChI=1S/C9H14N2O2/c1-5-6(9(2,3)4)7(12)11-8(13)10-5/h1-4H3,(H2,10,11,12,13)
InChIKeyVUKQKAWLVDXKHB-UHFFFAOYSA-N
XLogP0.67
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione (CID 58821044) is 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is VUKQKAWLVDXKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-6(9(2,3)4)7(12)11-8(13)10-5/h1-4H3,(H2,10,11,12,13).
What are the key properties of 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione?
5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58821044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).