2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one

C8H13N3O — CID 641973

IUPAC2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one
SMILESCCn1c(N)nc(C)c(C)c1=O
InChIInChI=1S/C8H13N3O/c1-4-11-7(12)5(2)6(3)10-8(11)9/h4H2,1-3H3,(H2,9,10)
InChIKeyDBUVXRCHRYWOII-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.46
Rot. Bonds1

About 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one

2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one (PubChem CID 641973) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one
PubChem CID641973
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one
SMILESCCn1c(N)nc(C)c(C)c1=O
InChIInChI=1S/C8H13N3O/c1-4-11-7(12)5(2)6(3)10-8(11)9/h4H2,1-3H3,(H2,9,10)
InChIKeyDBUVXRCHRYWOII-UHFFFAOYSA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one (CID 641973) is 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one is CCn1c(N)nc(C)c(C)c1=O.
What is the InChIKey of 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one?
The InChIKey is DBUVXRCHRYWOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-11-7(12)5(2)6(3)10-8(11)9/h4H2,1-3H3,(H2,9,10).
What are the key properties of 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one?
2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 641973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).