3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione

C10H16N2O3 — CID 122239218

IUPAC3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOCc1cc(=O)n(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)12-8(13)5-7(6-15-4)11-9(12)14/h5H,6H2,1-4H3,(H,11,14)
InChIKeyQRPBUABTHREIQT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.44
Rot. Bonds2

About 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione

3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122239218) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID122239218
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOCc1cc(=O)n(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)12-8(13)5-7(6-15-4)11-9(12)14/h5H,6H2,1-4H3,(H,11,14)
InChIKeyQRPBUABTHREIQT-UHFFFAOYSA-N
XLogP0.44
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione (CID 122239218) is 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione is COCc1cc(=O)n(C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QRPBUABTHREIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)12-8(13)5-7(6-15-4)11-9(12)14/h5H,6H2,1-4H3,(H,11,14).
What are the key properties of 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione?
3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).