6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one

C12H15ClN4O2 — CID 114584262

IUPAC6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1Cc1nc(C(C)C)no1
InChIInChI=1S/C12H15ClN4O2/c1-4-9-14-8(13)5-11(18)17(9)6-10-15-12(7(2)3)16-19-10/h5,7H,4,6H2,1-3H3
InChIKeyGQLGUFXNUYVYAS-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.01
Rot. Bonds4

About 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one

6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one (PubChem CID 114584262) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
PubChem CID114584262
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1Cc1nc(C(C)C)no1
InChIInChI=1S/C12H15ClN4O2/c1-4-9-14-8(13)5-11(18)17(9)6-10-15-12(7(2)3)16-19-10/h5,7H,4,6H2,1-3H3
InChIKeyGQLGUFXNUYVYAS-UHFFFAOYSA-N
XLogP2.01
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-chloro-2-propan-2-yl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114584893
6-chloro-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethylpyrimidin-4-one
CID 114584235
6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114584338
6-chloro-2-ethyl-3-(4-methylpentyl)pyrimidin-4-one
CID 114584255
6-chloro-3-[(3,4-dichlorophenyl)methyl]-2-ethylpyrimidin-4-one
CID 114584359
3-[(5-bromofuran-2-yl)methyl]-6-chloro-2-ethylpyrimidin-4-one
CID 114584243
6-chloro-2-ethyl-3-[(4-nitrophenyl)methyl]pyrimidin-4-one
CID 114584345
6-chloro-2-ethyl-3-(2-methylidenebutyl)pyrimidin-4-one
CID 114584434
6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one
CID 114584956
6-chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46528627
6-chloro-3-(3-ethoxypropyl)-2-ethylpyrimidin-4-one
CID 114584383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one (CID 114584262) is 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1Cc1nc(C(C)C)no1.
What is the InChIKey of 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The InChIKey is GQLGUFXNUYVYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-4-9-14-8(13)5-11(18)17(9)6-10-15-12(7(2)3)16-19-10/h5,7H,4,6H2,1-3H3.
What are the key properties of 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one has a molecular weight of 282.73 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114584262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).