6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one

C8H11N3O2 — CID 82075087

IUPAC6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
SMILESCC(C)C(=O)c1cnc(=O)[nH]c1N
InChIInChI=1S/C8H11N3O2/c1-4(2)6(12)5-3-10-8(13)11-7(5)9/h3-4H,1-2H3,(H3,9,10,11,13)
InChIKeyJPHBAJPQCAIXAH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.19
Rot. Bonds2

About 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one

6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one (PubChem CID 82075087) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
PubChem CID82075087
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
SMILESCC(C)C(=O)c1cnc(=O)[nH]c1N
InChIInChI=1S/C8H11N3O2/c1-4(2)6(12)5-3-10-8(13)11-7(5)9/h3-4H,1-2H3,(H3,9,10,11,13)
InChIKeyJPHBAJPQCAIXAH-UHFFFAOYSA-N
XLogP0.19
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one (CID 82075087) is 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one is CC(C)C(=O)c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one?
The InChIKey is JPHBAJPQCAIXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4(2)6(12)5-3-10-8(13)11-7(5)9/h3-4H,1-2H3,(H3,9,10,11,13).
What are the key properties of 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one?
6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one has a molecular weight of 181.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82075087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).