6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one

C13H23N3O — CID 162501135

IUPAC6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one
SMILESCn1c(C(C)(C)C)nc(N)c(C(C)(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-12(2,3)8-9(14)15-11(13(4,5)6)16(7)10(8)17/h14H2,1-7H3
InChIKeyZMVDFISYOYQGFV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.96
Rot. Bonds

About 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one

6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one (PubChem CID 162501135) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one
PubChem CID162501135
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one
SMILESCn1c(C(C)(C)C)nc(N)c(C(C)(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-12(2,3)8-9(14)15-11(13(4,5)6)16(7)10(8)17/h14H2,1-7H3
InChIKeyZMVDFISYOYQGFV-UHFFFAOYSA-N
XLogP1.96
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one?
The IUPAC name of 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one (CID 162501135) is 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one is Cn1c(C(C)(C)C)nc(N)c(C(C)(C)C)c1=O.
What is the InChIKey of 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one?
The InChIKey is ZMVDFISYOYQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2,3)8-9(14)15-11(13(4,5)6)16(7)10(8)17/h14H2,1-7H3.
What are the key properties of 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one?
6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,5-ditert-butyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 162501135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).