2-amino-1,5-diethylpyrimidin-4-one

C8H13N3O — CID 91342294

IUPAC2-amino-1,5-diethylpyrimidin-4-one
SMILESCCc1cn(CC)c(N)nc1=O
InChIInChI=1S/C8H13N3O/c1-3-6-5-11(4-2)8(9)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyFUXBAVBHJNSGJN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.41
Rot. Bonds2

About 2-amino-1,5-diethylpyrimidin-4-one

2-amino-1,5-diethylpyrimidin-4-one (PubChem CID 91342294) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-1,5-diethylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1,5-diethylpyrimidin-4-one
PubChem CID91342294
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-1,5-diethylpyrimidin-4-one
SMILESCCc1cn(CC)c(N)nc1=O
InChIInChI=1S/C8H13N3O/c1-3-6-5-11(4-2)8(9)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyFUXBAVBHJNSGJN-UHFFFAOYSA-N
XLogP0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,5-diethylpyrimidin-4-one?
The IUPAC name of 2-amino-1,5-diethylpyrimidin-4-one (CID 91342294) is 2-amino-1,5-diethylpyrimidin-4-one.
What is the SMILES notation for 2-amino-1,5-diethylpyrimidin-4-one?
The canonical SMILES for 2-amino-1,5-diethylpyrimidin-4-one is CCc1cn(CC)c(N)nc1=O.
What is the InChIKey of 2-amino-1,5-diethylpyrimidin-4-one?
The InChIKey is FUXBAVBHJNSGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-6-5-11(4-2)8(9)10-7(6)12/h5H,3-4H2,1-2H3,(H2,9,10,12).
What are the key properties of 2-amino-1,5-diethylpyrimidin-4-one?
2-amino-1,5-diethylpyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,5-diethylpyrimidin-4-one is sourced from PubChem (CID 91342294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).