6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane

C7H15N3O — CID 144796956

IUPAC6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane
SMILESCC.CN1CCC(N)=NC1=O
InChIInChI=1S/C5H9N3O.C2H6/c1-8-3-2-4(6)7-5(8)9;1-2/h2-3H2,1H3,(H2,6,7,9);1-2H3
InChIKeyPXGPTIIAJLOKTE-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.83
Rot. Bonds

About 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane

6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane (PubChem CID 144796956) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane.

Molecular Properties

Compound Name6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane
PubChem CID144796956
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane
SMILESCC.CN1CCC(N)=NC1=O
InChIInChI=1S/C5H9N3O.C2H6/c1-8-3-2-4(6)7-5(8)9;1-2/h2-3H2,1H3,(H2,6,7,9);1-2H3
InChIKeyPXGPTIIAJLOKTE-UHFFFAOYSA-N
XLogP0.83
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane?
The IUPAC name of 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane (CID 144796956) is 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane.
What is the SMILES notation for 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane?
The canonical SMILES for 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane is CC.CN1CCC(N)=NC1=O.
What is the InChIKey of 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane?
The InChIKey is PXGPTIIAJLOKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.C2H6/c1-8-3-2-4(6)7-5(8)9;1-2/h2-3H2,1H3,(H2,6,7,9);1-2H3.
What are the key properties of 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane?
6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane has a molecular weight of 157.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4,5-dihydropyrimidin-2-one;ethane is sourced from PubChem (CID 144796956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).