5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione

C13H22N2O2 — CID 102257172

IUPAC5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione
SMILESCCn1c(C)c(C(C)(C)C)c(=O)n(CC)c1=O
InChIInChI=1S/C13H22N2O2/c1-7-14-9(3)10(13(4,5)6)11(16)15(8-2)12(14)17/h7-8H2,1-6H3
InChIKeyJVRCQEIQNOEPBA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds2

About 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione

5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione (PubChem CID 102257172) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione
PubChem CID102257172
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione
SMILESCCn1c(C)c(C(C)(C)C)c(=O)n(CC)c1=O
InChIInChI=1S/C13H22N2O2/c1-7-14-9(3)10(13(4,5)6)11(16)15(8-2)12(14)17/h7-8H2,1-6H3
InChIKeyJVRCQEIQNOEPBA-UHFFFAOYSA-N
XLogP1.66
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione?
The IUPAC name of 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione (CID 102257172) is 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione is CCn1c(C)c(C(C)(C)C)c(=O)n(CC)c1=O.
What is the InChIKey of 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione?
The InChIKey is JVRCQEIQNOEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-7-14-9(3)10(13(4,5)6)11(16)15(8-2)12(14)17/h7-8H2,1-6H3.
What are the key properties of 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione?
5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102257172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).