4-amino-1-tert-butylpyrimidin-2-one

C8H13N3O — CID 59814982

IUPAC4-amino-1-tert-butylpyrimidin-2-one
SMILESCC(C)(C)n1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O/c1-8(2,3)11-5-4-6(9)10-7(11)12/h4-5H,1-3H3,(H2,9,10,12)
InChIKeyCJDHFBBOAKHARV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.58
Rot. Bonds

About 4-amino-1-tert-butylpyrimidin-2-one

4-amino-1-tert-butylpyrimidin-2-one (PubChem CID 59814982) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-1-tert-butylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-tert-butylpyrimidin-2-one
PubChem CID59814982
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-1-tert-butylpyrimidin-2-one
SMILESCC(C)(C)n1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O/c1-8(2,3)11-5-4-6(9)10-7(11)12/h4-5H,1-3H3,(H2,9,10,12)
InChIKeyCJDHFBBOAKHARV-UHFFFAOYSA-N
XLogP0.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tert-butylpyrimidin-2-one?
The IUPAC name of 4-amino-1-tert-butylpyrimidin-2-one (CID 59814982) is 4-amino-1-tert-butylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-tert-butylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-tert-butylpyrimidin-2-one is CC(C)(C)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-tert-butylpyrimidin-2-one?
The InChIKey is CJDHFBBOAKHARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)11-5-4-6(9)10-7(11)12/h4-5H,1-3H3,(H2,9,10,12).
What are the key properties of 4-amino-1-tert-butylpyrimidin-2-one?
4-amino-1-tert-butylpyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butylpyrimidin-2-one is sourced from PubChem (CID 59814982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).