5-amino-2-tert-butyl-3-ethylpyrimidin-4-one

C10H17N3O — CID 164559068

IUPAC5-amino-2-tert-butyl-3-ethylpyrimidin-4-one
SMILESCCn1c(C(C)(C)C)ncc(N)c1=O
InChIInChI=1S/C10H17N3O/c1-5-13-8(14)7(11)6-12-9(13)10(2,3)4/h6H,5,11H2,1-4H3
InChIKeyDKTLJEJZGPPXCN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.14
Rot. Bonds1

About 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one

5-amino-2-tert-butyl-3-ethylpyrimidin-4-one (PubChem CID 164559068) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-2-tert-butyl-3-ethylpyrimidin-4-one
PubChem CID164559068
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-amino-2-tert-butyl-3-ethylpyrimidin-4-one
SMILESCCn1c(C(C)(C)C)ncc(N)c1=O
InChIInChI=1S/C10H17N3O/c1-5-13-8(14)7(11)6-12-9(13)10(2,3)4/h6H,5,11H2,1-4H3
InChIKeyDKTLJEJZGPPXCN-UHFFFAOYSA-N
XLogP1.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one?
The IUPAC name of 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one (CID 164559068) is 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one.
What is the SMILES notation for 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one?
The canonical SMILES for 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one is CCn1c(C(C)(C)C)ncc(N)c1=O.
What is the InChIKey of 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one?
The InChIKey is DKTLJEJZGPPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-13-8(14)7(11)6-12-9(13)10(2,3)4/h6H,5,11H2,1-4H3.
What are the key properties of 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one?
5-amino-2-tert-butyl-3-ethylpyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-tert-butyl-3-ethylpyrimidin-4-one is sourced from PubChem (CID 164559068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).