2-amino-1-methylpyrimidin-4-one;ethane

C7H13N3O — CID 142907117

IUPAC2-amino-1-methylpyrimidin-4-one;ethane
SMILESCC.Cn1ccc(=O)nc1N
InChIInChI=1S/C5H7N3O.C2H6/c1-8-3-2-4(9)7-5(8)6;1-2/h2-3H,1H3,(H2,6,7,9);1-2H3
InChIKeyRVWNSUYZTIKPTJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.39
Rot. Bonds

About 2-amino-1-methylpyrimidin-4-one;ethane

2-amino-1-methylpyrimidin-4-one;ethane (PubChem CID 142907117) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-1-methylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-amino-1-methylpyrimidin-4-one;ethane
PubChem CID142907117
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-1-methylpyrimidin-4-one;ethane
SMILESCC.Cn1ccc(=O)nc1N
InChIInChI=1S/C5H7N3O.C2H6/c1-8-3-2-4(9)7-5(8)6;1-2/h2-3H,1H3,(H2,6,7,9);1-2H3
InChIKeyRVWNSUYZTIKPTJ-UHFFFAOYSA-N
XLogP0.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylpyrimidin-4-one;ethane?
The IUPAC name of 2-amino-1-methylpyrimidin-4-one;ethane (CID 142907117) is 2-amino-1-methylpyrimidin-4-one;ethane.
What is the SMILES notation for 2-amino-1-methylpyrimidin-4-one;ethane?
The canonical SMILES for 2-amino-1-methylpyrimidin-4-one;ethane is CC.Cn1ccc(=O)nc1N.
What is the InChIKey of 2-amino-1-methylpyrimidin-4-one;ethane?
The InChIKey is RVWNSUYZTIKPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C2H6/c1-8-3-2-4(9)7-5(8)6;1-2/h2-3H,1H3,(H2,6,7,9);1-2H3.
What are the key properties of 2-amino-1-methylpyrimidin-4-one;ethane?
2-amino-1-methylpyrimidin-4-one;ethane has a molecular weight of 155.20 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylpyrimidin-4-one;ethane is sourced from PubChem (CID 142907117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).