6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one

C9H13N3O2 — CID 82076034

IUPAC6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one
SMILESCC(C)(C)C(=O)c1cnc(=O)[nH]c1N
InChIInChI=1S/C9H13N3O2/c1-9(2,3)6(13)5-4-11-8(14)12-7(5)10/h4H,1-3H3,(H3,10,11,12,14)
InChIKeyDFSYHBCELZMXBB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.58
Rot. Bonds1

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

6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one (PubChem CID 82076034) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one
PubChem CID82076034
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one
SMILESCC(C)(C)C(=O)c1cnc(=O)[nH]c1N
InChIInChI=1S/C9H13N3O2/c1-9(2,3)6(13)5-4-11-8(14)12-7(5)10/h4H,1-3H3,(H3,10,11,12,14)
InChIKeyDFSYHBCELZMXBB-UHFFFAOYSA-N
XLogP0.58
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one (CID 82076034) is 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one is CC(C)(C)C(=O)c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one?
The InChIKey is DFSYHBCELZMXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,3)6(13)5-4-11-8(14)12-7(5)10/h4H,1-3H3,(H3,10,11,12,14).
What are the key properties of 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one?
6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82076034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).