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

C10H16N2O2 — CID 679169

IUPAC3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C(C)(C)C)c(=O)c1C
InChIInChI=1S/C10H16N2O2/c1-6-7(2)11-9(14)12(8(6)13)10(3,4)5/h1-5H3,(H,11,14)
InChIKeyWZQFWTOYCMPGPF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.91
Rot. Bonds

About 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione

3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 679169) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID679169
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C(C)(C)C)c(=O)c1C
InChIInChI=1S/C10H16N2O2/c1-6-7(2)11-9(14)12(8(6)13)10(3,4)5/h1-5H3,(H,11,14)
InChIKeyWZQFWTOYCMPGPF-UHFFFAOYSA-N
XLogP0.91
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione (CID 679169) is 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1C.
What is the InChIKey of 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is WZQFWTOYCMPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-7(2)11-9(14)12(8(6)13)10(3,4)5/h1-5H3,(H,11,14).
What are the key properties of 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 679169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).