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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Related Compounds

6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
CID 82075087
6-amino-5-benzoyl-1H-pyrimidin-2-one
CID 19842463
6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one
CID 174482476
6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82085699
6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
CID 142546478
6-amino-5-methyl-1H-pyrimidin-2-one;phosphoric acid
CID 173262300
ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 67784776
6-amino-5-methoxy-1H-pyrimidin-2-one
CID 15422742
6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82091108
methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 141076496
1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
CID 67371590
6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one
CID 158467141

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).