5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one

C9H15N3O — CID 115114453

IUPAC5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one
SMILESCC(C)(C)Cn1cnc(=O)c(N)c1
InChIInChI=1S/C9H15N3O/c1-9(2,3)5-12-4-7(10)8(13)11-6-12/h4,6H,5,10H2,1-3H3
InChIKeyIYPFAFBCZZIYNO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds1

About 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one

5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one (PubChem CID 115114453) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one
PubChem CID115114453
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one
SMILESCC(C)(C)Cn1cnc(=O)c(N)c1
InChIInChI=1S/C9H15N3O/c1-9(2,3)5-12-4-7(10)8(13)11-6-12/h4,6H,5,10H2,1-3H3
InChIKeyIYPFAFBCZZIYNO-UHFFFAOYSA-N
XLogP0.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 70594970
3,3-Dimethylimidazol-3-ium-4-carboxamide
CID 87517663
1,1-Dimethylimidazol-1-ium-4-carboxamide
CID 118591323
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one
CID 121553550
5-Amino-3-propylpyrimidin-4-one;hydrochloride
CID 138585613
5-Amino-3-propylpyrimidin-4-one
CID 138585614
5-Amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 138585702
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
CID 138601214
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;hydrochloride
CID 141659432
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane
CID 145427253
5-Amino-2-tert-butyl-3-ethylpyrimidin-4-one
CID 164559068
5-Amino-1-(3-methoxypropyl)pyrimidin-4-one
CID 115114221

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one (CID 115114453) is 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one is CC(C)(C)Cn1cnc(=O)c(N)c1.
What is the InChIKey of 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one?
The InChIKey is IYPFAFBCZZIYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)5-12-4-7(10)8(13)11-6-12/h4,6H,5,10H2,1-3H3.
What are the key properties of 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one?
5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-dimethylpropyl)pyrimidin-4-one is sourced from PubChem (CID 115114453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).