6-amino-3-methylpyrimidin-4-one;ethane

C9H19N3O — CID 155738630

IUPAC6-amino-3-methylpyrimidin-4-one;ethane
SMILESCC.CC.Cn1cnc(N)cc1=O
InChIInChI=1S/C5H7N3O.2C2H6/c1-8-3-7-4(6)2-5(8)9;2*1-2/h2-3H,6H2,1H3;2*1-2H3
InChIKeyOILUIKBEZKEUQG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.41
Rot. Bonds

About 6-amino-3-methylpyrimidin-4-one;ethane

6-amino-3-methylpyrimidin-4-one;ethane (PubChem CID 155738630) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-amino-3-methylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name6-amino-3-methylpyrimidin-4-one;ethane
PubChem CID155738630
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name6-amino-3-methylpyrimidin-4-one;ethane
SMILESCC.CC.Cn1cnc(N)cc1=O
InChIInChI=1S/C5H7N3O.2C2H6/c1-8-3-7-4(6)2-5(8)9;2*1-2/h2-3H,6H2,1H3;2*1-2H3
InChIKeyOILUIKBEZKEUQG-UHFFFAOYSA-N
XLogP1.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylpyrimidin-4-one;ethane?
The IUPAC name of 6-amino-3-methylpyrimidin-4-one;ethane (CID 155738630) is 6-amino-3-methylpyrimidin-4-one;ethane.
What is the SMILES notation for 6-amino-3-methylpyrimidin-4-one;ethane?
The canonical SMILES for 6-amino-3-methylpyrimidin-4-one;ethane is CC.CC.Cn1cnc(N)cc1=O.
What is the InChIKey of 6-amino-3-methylpyrimidin-4-one;ethane?
The InChIKey is OILUIKBEZKEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.2C2H6/c1-8-3-7-4(6)2-5(8)9;2*1-2/h2-3H,6H2,1H3;2*1-2H3.
What are the key properties of 6-amino-3-methylpyrimidin-4-one;ethane?
6-amino-3-methylpyrimidin-4-one;ethane has a molecular weight of 185.27 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylpyrimidin-4-one;ethane is sourced from PubChem (CID 155738630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).