4-amino-1-ethylpyrimidin-2-one

C6H9N3O — CID 14331638

IUPAC4-amino-1-ethylpyrimidin-2-one
SMILESCCn1ccc(N)nc1=O
InChIInChI=1S/C6H9N3O/c1-2-9-4-3-5(7)8-6(9)10/h3-4H,2H2,1H3,(H2,7,8,10)
InChIKeyBOPYMSJWZABKAZ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.15
Rot. Bonds1

About 4-amino-1-ethylpyrimidin-2-one

4-amino-1-ethylpyrimidin-2-one (PubChem CID 14331638) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-amino-1-ethylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-ethylpyrimidin-2-one
PubChem CID14331638
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-amino-1-ethylpyrimidin-2-one
SMILESCCn1ccc(N)nc1=O
InChIInChI=1S/C6H9N3O/c1-2-9-4-3-5(7)8-6(9)10/h3-4H,2H2,1H3,(H2,7,8,10)
InChIKeyBOPYMSJWZABKAZ-UHFFFAOYSA-N
XLogP-0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylpyrimidin-2-one?
The IUPAC name of 4-amino-1-ethylpyrimidin-2-one (CID 14331638) is 4-amino-1-ethylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-ethylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-ethylpyrimidin-2-one is CCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-ethylpyrimidin-2-one?
The InChIKey is BOPYMSJWZABKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-9-4-3-5(7)8-6(9)10/h3-4H,2H2,1H3,(H2,7,8,10).
What are the key properties of 4-amino-1-ethylpyrimidin-2-one?
4-amino-1-ethylpyrimidin-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylpyrimidin-2-one is sourced from PubChem (CID 14331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).