5-amino-3-ethyl-2-methylpyrimidin-4-one

C7H11N3O — CID 142150650

IUPAC5-amino-3-ethyl-2-methylpyrimidin-4-one
SMILESCCn1c(C)ncc(N)c1=O
InChIInChI=1S/C7H11N3O/c1-3-10-5(2)9-4-6(8)7(10)11/h4H,3,8H2,1-2H3
InChIKeyPMGHWMJRCKDLSJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.15
Rot. Bonds1

About 5-amino-3-ethyl-2-methylpyrimidin-4-one

5-amino-3-ethyl-2-methylpyrimidin-4-one (PubChem CID 142150650) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-amino-3-ethyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-ethyl-2-methylpyrimidin-4-one
PubChem CID142150650
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-amino-3-ethyl-2-methylpyrimidin-4-one
SMILESCCn1c(C)ncc(N)c1=O
InChIInChI=1S/C7H11N3O/c1-3-10-5(2)9-4-6(8)7(10)11/h4H,3,8H2,1-2H3
InChIKeyPMGHWMJRCKDLSJ-UHFFFAOYSA-N
XLogP0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-2-methylpyrimidin-4-one?
The IUPAC name of 5-amino-3-ethyl-2-methylpyrimidin-4-one (CID 142150650) is 5-amino-3-ethyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-amino-3-ethyl-2-methylpyrimidin-4-one?
The canonical SMILES for 5-amino-3-ethyl-2-methylpyrimidin-4-one is CCn1c(C)ncc(N)c1=O.
What is the InChIKey of 5-amino-3-ethyl-2-methylpyrimidin-4-one?
The InChIKey is PMGHWMJRCKDLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-10-5(2)9-4-6(8)7(10)11/h4H,3,8H2,1-2H3.
What are the key properties of 5-amino-3-ethyl-2-methylpyrimidin-4-one?
5-amino-3-ethyl-2-methylpyrimidin-4-one has a molecular weight of 153.19 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 5-amino-3-ethyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 142150650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).