6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

C12H19ClN2O2 — CID 103036366

IUPAC6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCC(C)(C)OC
InChIInChI=1S/C12H19ClN2O2/c1-5-10-14-9(13)8-11(16)15(10)7-6-12(2,3)17-4/h8H,5-7H2,1-4H3
InChIKeyWLWCLGCKXXUDOU-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.27
Rot. Bonds5

About 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036366) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036366
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCC(C)(C)OC
InChIInChI=1S/C12H19ClN2O2/c1-5-10-14-9(13)8-11(16)15(10)7-6-12(2,3)17-4/h8H,5-7H2,1-4H3
InChIKeyWLWCLGCKXXUDOU-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 103036360
6-Chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036361
6-Chloro-2-cyclopropyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036367
6-Chloro-3-[3-(2-methoxyethoxy)propyl]-2-methylpyrimidin-4-one
CID 103411723
6-Chloro-2-cyclopropyl-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411731
6-Chloro-2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 113604540
4-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylbutanamide
CID 113604601
6-Chloro-3-(3-methoxy-3-methylbutyl)-2-propan-2-ylpyrimidin-4-one
CID 113767545
6-Chloro-2-ethyl-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 113813156
6-Chloro-3-[3-(2-methoxyethoxy)propyl]-2-propan-2-ylpyrimidin-4-one
CID 113813157
6-Chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
CID 114201135
6-Chloro-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114581587

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036366) is 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCC(C)(C)OC.
What is the InChIKey of 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is WLWCLGCKXXUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-5-10-14-9(13)8-11(16)15(10)7-6-12(2,3)17-4/h8H,5-7H2,1-4H3.
What are the key properties of 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 258.75 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103036366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).