3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione

C17H30N2O2 — CID 23402592

IUPAC3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)c(C(C)(C)C)c(C(C)(C)C)n(C)c1=O
InChIInChI=1S/C17H30N2O2/c1-9-10-11-19-14(20)12(16(2,3)4)13(17(5,6)7)18(8)15(19)21/h9-11H2,1-8H3
InChIKeyMUGRGEXPKPKZFF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.94
Rot. Bonds3

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

3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione (PubChem CID 23402592) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione
PubChem CID23402592
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)c(C(C)(C)C)c(C(C)(C)C)n(C)c1=O
InChIInChI=1S/C17H30N2O2/c1-9-10-11-19-14(20)12(16(2,3)4)13(17(5,6)7)18(8)15(19)21/h9-11H2,1-8H3
InChIKeyMUGRGEXPKPKZFF-UHFFFAOYSA-N
XLogP2.94
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 20872026
CID 20872071
CID 20872071
CID 20872074
CID 20872074
CID 20872088
CID 20872088
CID 20872090
CID 20872090
CID 20872091
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CID 23552330
CID 23552330

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione (CID 23402592) is 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione is CCCCn1c(=O)c(C(C)(C)C)c(C(C)(C)C)n(C)c1=O.
What is the InChIKey of 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione?
The InChIKey is MUGRGEXPKPKZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-9-10-11-19-14(20)12(16(2,3)4)13(17(5,6)7)18(8)15(19)21/h9-11H2,1-8H3.
What are the key properties of 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione?
3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione has a molecular weight of 294.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,6-ditert-butyl-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 23402592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).