1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one

C12H19N3O2 — CID 113448371

IUPAC1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(N)C2CCOC2)c(=O)n1
InChIInChI=1S/C12H19N3O2/c1-8-5-9(2)15(12(16)14-8)6-11(13)10-3-4-17-7-10/h5,10-11H,3-4,6-7,13H2,1-2H3
InChIKeyQNSARRFMZZUKBF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.22
Rot. Bonds3

About 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 113448371) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID113448371
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(N)C2CCOC2)c(=O)n1
InChIInChI=1S/C12H19N3O2/c1-8-5-9(2)15(12(16)14-8)6-11(13)10-3-4-17-7-10/h5,10-11H,3-4,6-7,13H2,1-2H3
InChIKeyQNSARRFMZZUKBF-UHFFFAOYSA-N
XLogP0.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747821
1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747038
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747034
5-methyl-1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-2-one
CID 104747676
1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 104747986
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
CID 104747033
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 91761499
1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine
CID 104747073

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one (CID 113448371) is 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(N)C2CCOC2)c(=O)n1.
What is the InChIKey of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is QNSARRFMZZUKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-5-9(2)15(12(16)14-8)6-11(13)10-3-4-17-7-10/h5,10-11H,3-4,6-7,13H2,1-2H3.
What are the key properties of 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 113448371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).